data_2cph_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 2cph _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 ' 462' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.899 0.38 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -144.2 112.39 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.67 109.51 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.11 103.82 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.2 p -85.35 120.0 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -111.67 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.8 t30 60.43 41.84 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 75.1 mt -84.5 138.6 38.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 54.4 Cg_endo -69.72 150.55 68.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.24 -11.68 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -86.73 -25.21 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -69.17 141.6 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -132.4 170.33 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.469 ' N ' HD21 ' A' ' 493' ' ' LEU . 1.1 tm0? -44.59 -61.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -51.97 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.23 -56.81 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 479' ' ' ARG . 37.3 mm -68.23 -47.78 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 491' ' ' VAL . 0.2 OUTLIER -37.84 -64.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.55 -48.16 70.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.5 tp -37.78 -38.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.452 ' CZ ' HD12 ' A' ' 524' ' ' LEU . 31.9 m-85 -98.57 -42.41 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 7.5 t -46.43 -44.73 17.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 6.0 t -45.24 -33.35 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 523' ' ' ALA . 24.4 m-85 -78.23 -34.98 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 179.32 173.41 44.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.01 131.79 50.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' A' ' 511' ' ' PHE . 75.0 mt -105.82 128.27 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 510' ' ' ASP . 36.2 mmtt -55.37 -52.5 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' THR . . . . . 0.455 HG23 ' CD ' ' A' ' 492' ' ' ARG . 8.9 t -169.41 129.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.423 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.2 t -100.8 110.54 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . 0.455 ' CD ' HG23 ' A' ' 490' ' ' THR . 1.7 mpp_? -102.96 131.89 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.469 HD21 ' N ' ' A' ' 475' ' ' GLN . 3.0 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -104.13 61.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -158.41 136.5 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -142.39 144.85 14.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -107.95 127.39 53.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 33.7 t -127.24 122.28 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 489' ' ' LYS . 39.7 t0 -111.18 137.48 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' A' ' 488' ' ' LEU . 12.8 m-85 -105.8 163.97 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 33.5 mm -69.13 -44.45 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 65.9 p -129.58 160.72 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -57.56 -45.83 84.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.56 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -45.19 -34.86 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -73.5 -36.21 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.61 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.15 -41.28 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.06 -54.14 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -44.87 -51.28 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -73.01 -45.09 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 485' ' ' PHE . . . -45.68 -35.79 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 482' ' ' PHE . 94.3 mt -99.42 -53.12 3.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 524' ' ' LEU . 41.4 t -35.15 -52.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 525' ' ' CYS . 13.5 t-160 -35.34 -61.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 63.9 p -166.2 106.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 37.4 m -125.61 114.58 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . 0.522 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 0.3 OUTLIER -110.49 120.6 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.2 tp -129.63 118.05 21.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.482 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 69.6 m-85 61.57 31.76 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.43 57.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -134.56 135.26 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.522 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.1 tmm_? -86.95 99.19 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 93.8 mt -60.19 150.58 29.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.6 t -118.17 106.71 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -88.38 126.69 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -144.73 147.64 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -133.76 118.09 17.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 511' ' ' PHE . 75.0 mt -110.22 108.13 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.42 108.22 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.03 129.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -117.85 170.51 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 505' ' ' GLY . 22.7 t30 63.73 44.22 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 85.9 mt -87.13 138.42 32.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.734 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.71 143.52 51.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.686 2.258 . . . . 0.0 112.394 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.34 -38.48 63.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -58.32 -43.95 88.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -57.53 138.75 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -131.77 177.56 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -45.57 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -41.67 -43.92 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.05 -58.75 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 35.9 mm -56.88 -44.01 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -48.82 -70.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.61 -36.34 71.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 484' ' ' THR . 19.7 tp -47.12 -54.83 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 524' ' ' LEU . 54.8 m-85 -86.24 -49.36 7.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 482' ' ' PHE . 44.3 t -36.75 -40.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 481' ' ' LEU . 6.7 t -45.55 -48.44 14.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.449 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 36.6 m-85 -64.72 -43.33 93.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.32 172.47 44.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -59.59 139.93 56.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 59.8 mt -107.18 152.38 24.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -81.92 -46.41 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.5 t -174.86 136.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.571 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 70.4 t -105.68 112.31 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -103.06 120.7 41.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.571 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.4 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -88.77 60.37 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -151.14 138.24 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -151.54 139.96 7.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -99.89 132.12 45.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.8 126.66 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -111.0 145.53 38.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 464' ' ' ILE . 10.4 m-85 -115.16 156.79 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.79 -46.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 25.2 p -127.82 147.17 50.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.4 mtmm -51.36 -53.86 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 514' ' ' LYS . 77.3 mm-40 -35.1 -64.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -49.11 -49.35 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 521' ' ' PHE . . . -53.02 -39.88 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.6 -57.12 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -49.92 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -56.68 -58.26 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.581 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 25.6 t80 -38.26 -58.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -66.04 -38.97 89.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -53.6 -54.11 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 482' ' ' PHE . 31.9 mt -79.3 -53.33 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 17.8 t -37.83 -40.72 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -54.08 -54.15 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 93.4 p -159.32 107.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.83 114.78 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -118.76 119.24 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -135.09 126.6 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.5 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 84.0 m-85 51.64 38.24 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.22 35.28 82.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -136.49 152.81 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -104.68 102.14 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.1 mt -69.66 147.56 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 65.8 t -115.34 107.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.34 122.66 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -137.9 160.78 38.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.581 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 92.0 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.946 0.403 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -145.84 143.79 29.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.442 HD13 ' CE1' ' A' ' 511' ' ' PHE . 70.1 mt -123.41 110.24 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.39 105.0 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.5 p -86.9 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -120.18 164.09 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 505' ' ' GLY . 28.0 t30 67.89 41.28 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 54.1 mt -86.35 132.95 41.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.34 35.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -44.92 -25.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.01 -48.73 64.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -47.59 125.21 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -113.21 160.69 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -44.74 -34.45 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -49.87 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -48.81 -48.29 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.63 -52.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 491' ' ' VAL . 24.5 ttp180 -43.28 -58.11 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.26 -43.29 86.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 tp -45.23 -45.96 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.52 -41.9 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 486' ' ' GLY . 14.0 t -44.67 -44.94 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 97.2 m -39.71 -36.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 63.7 m-85 -77.25 -41.49 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -176.67 170.68 43.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.07 139.03 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.439 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 40.0 mt -107.75 154.23 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 510' ' ' ASP . 0.4 OUTLIER -77.67 -52.31 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.0 t -174.51 140.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 479' ' ' ARG . 21.3 t -104.63 128.44 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -118.14 107.53 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.432 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 505' ' ' GLY . 42.8 ttt85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 504' ' ' ARG . . . -81.69 40.99 2.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.89 143.44 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -145.52 149.88 22.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.57 129.35 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.59 121.51 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 62.5 t0 -105.95 144.07 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 510' ' ' ASP . 13.0 m-85 -113.91 163.43 15.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 49.4 mm -70.92 -38.57 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 69.1 p -132.77 -174.99 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -85.21 -44.41 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -67.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 516' ' ' ASP . 0.4 OUTLIER -44.23 -50.72 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.52 -56.97 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -52.93 -65.07 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -40.2 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.461 ' HB2' ' CG ' ' A' ' 485' ' ' PHE . . . -45.73 -58.85 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.411 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 43.2 t80 -40.32 -46.17 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -78.19 -29.72 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.549 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -72.03 -25.8 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 525' ' ' CYS . 97.0 mt -102.22 -57.13 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 36.4 t -37.08 -52.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 527' ' ' SER . 8.2 p-80 -35.97 -50.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 526' ' ' HIS . 3.0 m -173.84 109.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.3 m -124.48 128.88 49.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -123.49 129.58 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -142.69 114.54 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 73.8 m-85 63.24 40.65 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.79 17.01 70.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -124.38 164.47 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -105.9 149.19 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.89 129.68 55.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 83.9 t -88.48 127.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.9 mm? -99.21 116.71 32.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -138.07 164.35 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.411 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 75.4 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.912 0.386 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -139.87 120.31 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.529 HG22 ' CZ ' ' A' ' 482' ' ' PHE . 65.2 mt -93.14 119.19 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 508' ' ' PHE . 12.4 tp -110.32 102.49 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 5.9 p -86.58 112.93 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -106.22 166.18 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.08 45.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 10.3 mt -88.43 136.1 31.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.66 -51.73 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -49.36 -24.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.52 135.89 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -130.67 165.36 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -48.07 -47.31 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -60.23 -40.11 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.42 -47.42 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.26 -47.09 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 483' ' ' SER . 30.6 ttt180 -47.79 -49.64 28.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.2 -35.71 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.51 -46.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.529 ' CZ ' HG22 ' A' ' 464' ' ' ILE . 77.6 m-85 -89.98 -50.17 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 29.4 t -36.92 -40.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 88.3 m -46.05 -50.09 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 35.5 m-85 -60.98 -36.83 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.66 46.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.22 138.22 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 511' ' ' PHE . 71.5 mt -104.25 158.97 16.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -91.31 -47.23 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -167.57 141.36 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 38.3 t -114.34 108.42 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -98.69 120.53 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.541 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.96 40.94 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.61 150.3 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -154.87 144.5 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 465' ' ' LEU . 8.2 m-85 -104.21 128.94 51.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 25.7 t -126.87 127.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.18 147.21 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.2 m-85 -114.21 155.52 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.56 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 22.0 p -125.57 132.66 52.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 515' ' ' GLN . 7.3 mtpm? -39.57 -54.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 514' ' ' LYS . 45.8 mm-40 -34.76 -59.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . 0.547 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 40.2 m-20 -51.31 -52.22 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -57.75 -66.15 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -44.2 -68.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.477 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -44.99 -64.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.657 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 15.0 t80 -35.78 -51.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.29 -52.0 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.78 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 526' ' ' HIS . 8.9 mp -69.11 -57.65 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 524' ' ' LEU . 4.2 t -35.99 -32.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 524' ' ' LEU . 10.6 t-160 -57.86 -49.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 524' ' ' LEU . 3.6 m -170.19 109.4 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 7.3 m -124.4 111.01 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . 0.409 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 1.4 m80 -115.68 125.61 53.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.5 tp -137.45 118.22 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.472 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 60.09 26.71 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.02 38.92 21.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -144.46 116.26 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.409 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.0 OUTLIER -68.98 103.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.9 147.93 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.87 138.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.44 114.74 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -128.63 149.41 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.657 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 97.0 m95 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 0.9 OUTLIER -146.72 113.03 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.551 HG23 ' CE2' ' A' ' 482' ' ' PHE . 11.7 mt -93.66 107.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.2 tp -102.87 104.18 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 1.1 p -90.84 129.76 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -114.87 175.74 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.8 t30 61.46 40.71 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.1 134.89 35.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.95 61.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -53.95 -26.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -67.47 -38.62 84.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -54.49 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -129.02 157.05 42.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -39.23 -40.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -46.17 74.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.87 -51.04 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.53 -48.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -47.69 -50.03 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -31.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.7 -39.93 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 464' ' ' ILE . 52.2 m-85 -96.81 -47.08 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 19.8 m -43.48 -43.49 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 15.2 t -43.54 -37.56 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CZ ' HD13 ' A' ' 524' ' ' LEU . 46.9 m-85 -73.06 -39.45 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.69 -176.33 41.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.23 135.16 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 511' ' ' PHE . 57.7 mt -104.36 156.72 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -90.58 -48.8 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.8 t -173.03 131.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.24 127.32 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 492' ' ' ARG . 4.6 mmm180 -118.21 129.57 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.907 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.868 0.366 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -91.23 56.35 3.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.607 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -161.2 142.4 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -150.03 144.97 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . 0.485 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 64.0 m-85 -106.5 132.03 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 89.1 t -127.26 124.72 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.62 140.14 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' A' ' 488' ' ' LEU . 9.6 m-85 -112.2 144.46 41.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 46.5 mm -48.77 -51.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 58.3 p -122.76 168.36 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 515' ' ' GLN . 50.8 mttp -68.09 -58.69 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 514' ' ' LYS . 33.0 mt-30 -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -51.83 -47.18 64.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.0 -60.71 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -52.24 -46.19 65.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -51.65 -58.55 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -67.3 -62.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.658 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 4.9 t80 -38.36 -40.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -74.24 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.81 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.544 HD13 ' CZ ' ' A' ' 485' ' ' PHE . 6.5 mp -68.21 -56.92 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -38.23 -39.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -50.47 -52.67 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.8 m -170.83 105.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m -123.49 128.56 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.64 138.27 54.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.4 tp -146.26 116.17 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.501 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 87.3 m-85 58.59 32.39 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.57 20.6 76.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -123.85 126.76 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 534' ' ' ARG . 4.1 tmm_? -77.03 107.79 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.07 144.92 42.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.22 117.33 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.2 mp -97.69 118.91 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -138.17 139.83 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.658 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 96.1 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -146.39 125.49 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 93.2 mt -108.08 118.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.7 tp -109.77 103.31 12.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 1.7 p -86.34 123.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -111.91 174.62 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 27.6 t30 64.33 32.45 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.418 ' HA ' ' CD2' ' A' ' 535' ' ' LEU . 59.3 mt -78.82 132.53 64.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.751 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.64 4.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -72.03 -53.7 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -46.62 -46.96 20.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -39.13 124.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.22 169.58 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -47.23 -44.59 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -61.39 -47.17 87.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -49.56 -55.94 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.37 -40.82 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 491' ' ' VAL . 2.3 tpt180 -43.61 -66.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 481' ' ' LEU . 32.7 mm-40 -65.48 -44.71 86.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 480' ' ' GLU . 14.7 tp -36.49 -44.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 483' ' ' SER . 73.8 m-85 -96.54 -49.11 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 482' ' ' PHE . 8.1 t -37.79 -40.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 96.9 m -50.52 -47.3 57.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.489 ' CG ' ' HB2' ' A' ' 520' ' ' ALA . 28.2 m-85 -64.26 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . 0.416 ' HA3' ' CG ' ' A' ' 516' ' ' ASP . . . -175.29 177.37 47.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.52 141.06 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 78.0 mt -107.43 158.94 16.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -98.39 -40.48 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 3.9 t -167.75 134.53 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 479' ' ' ARG . 12.7 t -111.46 106.34 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -103.43 130.21 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.492 ' HB3' ' CD1' ' A' ' 506' ' ' PHE . 31.6 ttm180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.96 69.8 3.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 504' ' ' ARG . 1.7 p90 -163.93 128.83 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -136.68 145.64 17.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.62 117.33 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 57.0 t -120.12 123.69 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -109.66 140.7 43.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -110.53 157.51 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 27.9 mm -66.41 -34.23 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 21.0 p -138.69 165.23 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -71.65 -45.43 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.57 -61.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . 0.416 ' CG ' ' HA3' ' A' ' 486' ' ' GLY . 3.2 t70 -56.39 -40.93 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.94 -48.12 79.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.48 -60.57 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -39.79 -62.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.489 ' HB2' ' CG ' ' A' ' 485' ' ' PHE . . . -59.73 -45.95 90.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.574 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 67.2 t80 -48.41 -55.82 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.62 -50.48 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.46 -56.32 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 525' ' ' CYS . 85.8 mt -73.46 -48.86 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 4.8 t -38.0 -48.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 525' ' ' CYS . 21.5 t-80 -35.91 -62.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 m -167.68 116.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 2.3 m -126.35 105.47 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.47 117.81 32.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.3 tp -130.36 114.88 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.49 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 60.5 m-85 61.51 32.86 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.09 37.31 38.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -144.87 137.27 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -92.04 105.51 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.9 mt -68.94 161.62 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.8 110.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.19 120.2 32.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -141.45 147.47 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.574 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 79.2 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -146.62 113.26 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 79.5 mt -108.83 120.46 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.2 tp -113.05 114.04 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.19 130.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -120.67 168.0 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 14.2 t30 66.18 41.55 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 43.4 mt -86.37 137.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 54.1 Cg_endo -69.71 163.53 37.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.22 . . . . 0.0 112.384 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.27 -43.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.09 -33.82 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -74.5 135.94 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -131.36 174.75 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -44.22 -48.81 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -46.32 -46.65 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 50.1 mm -63.88 -54.0 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -43.71 -54.21 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.15 -39.93 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.3 tp -48.19 -52.84 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 483' ' ' SER . 67.8 m-85 -82.45 -48.12 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 482' ' ' PHE . 40.4 t -37.25 -35.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 60.3 m -56.3 -46.75 79.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 523' ' ' ALA . 54.2 m-85 -67.54 -31.88 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 177.71 166.74 34.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.84 137.6 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 48.9 mt -106.31 158.43 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -88.06 -44.39 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.8 t -174.0 148.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 97.5 t -120.54 122.82 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -116.48 111.92 20.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.462 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.1 73.43 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -163.73 132.63 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.899 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.53 139.89 8.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -102.12 133.63 46.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 61.2 t -127.07 138.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.37 142.85 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.04 156.33 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.96 -43.46 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.0 p -120.42 173.78 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -34.03 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -59.42 -46.39 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -46.39 78.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.73 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -56.41 -51.69 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -48.47 -54.46 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.546 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 17.8 t80 -57.78 -58.47 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.15 -48.31 76.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.504 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -48.13 -56.78 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 525' ' ' CYS . 92.3 mt -72.36 -56.63 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 524' ' ' LEU . 26.4 t -34.28 -53.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -37.65 -65.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.0 t -152.71 109.35 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.48 120.11 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -117.57 128.95 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.8 tp -143.01 112.4 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.522 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.0 m-85 63.06 35.64 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.23 67.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.15 140.22 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -85.98 147.87 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 19.9 mt -111.33 132.62 54.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.19 111.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.0 mp -98.36 118.57 35.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -138.56 146.15 41.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.546 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 89.1 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -145.92 131.42 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 511' ' ' PHE . 59.3 mt -110.12 109.12 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -103.61 109.17 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.2 p -94.47 136.52 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -121.31 166.34 14.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 50.7 t30 70.39 32.36 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.65 129.92 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.68 43.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 0.0 112.368 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -44.98 -32.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.74 -43.18 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -56.46 130.66 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -129.07 170.7 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 493' ' ' LEU . 25.5 mt-30 -40.09 -51.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 477' ' ' GLU . 34.3 ttt180 -52.27 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 476' ' ' ARG . 1.0 OUTLIER -34.71 -52.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 31.5 mm -61.7 -50.38 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 483' ' ' SER . 42.1 ttt180 -48.24 -57.68 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.69 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.2 tp -48.28 -53.95 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 464' ' ' ILE . 81.4 m-85 -86.39 -49.87 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 45.7 t -38.51 -34.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 56.8 m -52.99 -46.83 68.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -64.43 -40.79 96.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -173.32 177.4 45.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.81 141.8 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.374 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 61.8 mt -106.69 159.26 16.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 512' ' ' ILE . 25.4 mmtt -93.86 -45.23 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.0 t -169.71 139.58 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.0 t -108.27 107.32 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -101.85 125.17 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.499 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.1 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.28 63.18 3.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 1.0 OUTLIER -159.47 151.09 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -147.2 147.8 18.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' A' ' 465' ' ' LEU . 7.5 m-85 -113.21 123.06 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 67.6 t -123.57 118.57 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -99.21 145.56 27.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.8 m-85 -115.24 160.01 20.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 489' ' ' LYS . 32.5 mm -70.05 -37.8 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 76.2 p -137.71 -176.16 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -85.01 -39.16 18.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -46.43 -65.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.45 -44.76 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -46.95 -61.42 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -60.01 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -38.15 -55.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.08 -59.68 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.684 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 7.0 t80 -36.8 -56.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -65.34 -45.72 83.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.44 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 525' ' ' CYS . 81.6 mt -83.52 -55.68 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 6.8 t -34.67 -47.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -41.73 -64.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 t -160.72 105.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.1 m -122.9 124.02 42.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -120.23 131.34 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 9.6 tp -140.67 131.04 25.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 46.11 28.14 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.9 29.4 42.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -137.01 135.88 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -86.98 110.88 20.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 65.2 mt -74.32 148.97 40.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.11 131.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 537' ' ' LEU . 3.7 mm? -100.96 115.18 29.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.68 136.4 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.684 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 82.3 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -143.24 112.21 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 511' ' ' PHE . 40.8 mt -89.34 117.89 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.2 100.98 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 6.3 p -83.92 124.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -116.29 171.42 7.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.03 35.27 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 75.5 mt -75.28 138.06 71.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.75 165.9 29.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -68.91 -37.04 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.91 -42.02 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . 0.439 ' CB ' ' HG2' ' A' ' 470' ' ' PRO . . . -55.23 135.45 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.02 176.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -55.07 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -50.41 -44.44 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.93 -58.98 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.62 -43.83 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.458 ' O ' ' CD1' ' A' ' 488' ' ' LEU . 23.7 ttp180 -52.28 -65.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.49 -30.96 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 30.4 tp -53.31 -48.96 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.541 ' CZ ' HD23 ' A' ' 524' ' ' LEU . 45.6 m-85 -85.27 -34.05 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 4.0 p -51.05 -37.51 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 87.4 m -51.94 -23.62 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.542 ' CZ ' HD12 ' A' ' 524' ' ' LEU . 83.3 m-85 -89.78 -42.37 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.41 40.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.38 133.1 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 479' ' ' ARG . 49.5 mt -104.62 146.47 28.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -82.15 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 15.2 t -157.16 145.31 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 493' ' ' LEU . 23.0 t -114.25 135.69 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -122.8 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.453 HD13 ' CG1' ' A' ' 491' ' ' VAL . 2.6 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -101.85 63.85 0.49 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.2 OUTLIER -159.99 124.0 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -137.73 149.61 20.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -105.55 132.37 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . 0.43 ' CG1' HD21 ' A' ' 488' ' ' LEU . 50.6 t -127.36 112.53 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -96.09 142.01 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.424 ' CD1' HD12 ' A' ' 464' ' ' ILE . 13.9 m-85 -111.69 151.95 28.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.04 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 54.4 p -127.93 137.42 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -45.47 -42.82 10.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 518' ' ' LYS . 15.4 mm100 -53.21 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.29 -44.44 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.01 86.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 515' ' ' GLN . 28.3 mttm -69.82 -61.41 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 522' ' ' ASN . 7.1 ptmt -49.79 -39.25 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.99 -57.91 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 9.9 t80 -37.88 -53.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.2 OUTLIER -65.87 -46.46 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.427 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -49.93 -51.73 38.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.542 HD12 ' CZ ' ' A' ' 485' ' ' PHE . 7.4 mp -76.67 -55.21 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 35.4 t -40.38 -48.24 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -38.2 -57.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.3 p -173.62 105.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 30.5 m -122.07 122.37 39.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . 0.447 ' CE1' ' HE ' ' A' ' 534' ' ' ARG . 1.5 m80 -111.04 118.9 37.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.4 tp -129.94 114.61 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.491 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.9 m-85 57.33 39.91 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.14 36.11 84.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -143.67 146.39 33.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.447 ' HE ' ' CE1' ' A' ' 529' ' ' HIS . 13.3 tpp85 -98.3 121.01 39.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 71.3 mt -85.85 143.65 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.4 t -97.85 127.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 2.1 mm? -99.91 116.06 31.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -129.52 157.98 40.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.493 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 94.8 m95 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.947 0.403 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.4 mtmm -146.68 120.69 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.52 HG23 ' CE1' ' A' ' 482' ' ' PHE . 78.0 mt -104.44 109.05 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.13 98.47 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.94 110.03 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . 0.401 HH12 ' CG1' ' A' ' 536' ' ' VAL . 5.4 ttp-105 -101.31 164.82 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 15.0 t30 71.31 43.0 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 81.9 mt -83.75 134.03 45.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.445 ' HG2' ' CB ' ' A' ' 473' ' ' ALA . 54.1 Cg_endo -69.73 160.53 49.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -54.36 -51.11 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -54.45 -49.56 69.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 470' ' ' PRO . . . -50.19 107.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -115.71 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.468 ' NE2' HG13 ' A' ' 491' ' ' VAL . 12.9 tp60 -40.01 -66.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 477' ' ' GLU . 7.2 ttm105 -44.72 -61.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 476' ' ' ARG . 23.5 mm-40 -34.43 -54.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 479' ' ' ARG . 4.1 mm -63.7 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 478' ' ' ILE . 17.2 ttp180 -36.53 -64.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 481' ' ' LEU . 9.3 pt-20 -63.83 -49.25 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 480' ' ' GLU . 16.4 tp -35.35 -43.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 464' ' ' ILE . 46.7 m-85 -94.58 -42.58 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.0 t -40.7 -42.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 62.3 m -40.37 -47.73 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 520' ' ' ALA . 49.4 m-85 -65.57 -42.88 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -177.78 175.56 47.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.46 143.01 54.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.6 mt -107.63 153.77 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 512' ' ' ILE . 0.1 OUTLIER -81.73 -53.15 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 11.4 t -168.9 135.54 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.468 HG13 ' NE2' ' A' ' 475' ' ' GLN . 71.8 t -100.81 135.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -128.37 123.04 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.412 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.2 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.857 0.36 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -67.92 71.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 506' ' ' PHE . 2.0 p90 -164.69 123.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.65 146.58 17.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.63 128.03 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.34 132.15 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.31 142.01 47.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -114.51 164.67 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.459 ' CD1' ' HE3' ' A' ' 489' ' ' LYS . 33.4 mm -77.43 -36.09 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.9 p -133.72 146.21 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.6 mtpp -51.31 -52.15 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 514' ' ' LYS . 39.7 mt-30 -35.91 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -44.06 -38.37 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.2 -50.26 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 14.0 ptpt -67.23 -36.62 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -61.91 -55.99 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 525' ' ' CYS . 9.4 t80 -61.34 -52.74 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -54.65 -28.72 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -81.57 -56.91 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.449 ' CD1' ' CE1' ' A' ' 485' ' ' PHE . 6.9 mp -64.23 -56.06 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 521' ' ' PHE . 4.4 p -46.33 -27.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.74 -45.41 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.1 t -174.27 108.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 96.2 m -125.22 125.43 43.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -119.67 119.49 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 16.3 tp -135.25 114.54 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.51 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 65.1 m-85 55.89 48.48 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 59.95 36.73 91.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -140.18 154.69 47.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -106.88 100.77 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.34 149.35 42.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.401 ' CG1' HH12 ' A' ' 467' ' ' ARG . 24.4 t -102.97 121.84 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 3.4 mm? -97.74 123.64 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -149.88 131.06 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.5 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.922 0.391 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -141.99 110.69 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 511' ' ' PHE . 55.3 mt -104.93 114.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 508' ' ' PHE . 17.1 tp -108.3 106.31 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.2 p -91.36 120.54 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -111.54 173.02 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 19.9 t30 58.8 45.31 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 470' ' ' PRO . 73.3 mt -86.97 135.39 35.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.403 ' N ' HG22 ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.76 148.13 64.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.52 -38.25 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.78 -49.81 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.33 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -114.51 176.95 4.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -48.0 -52.13 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -52.19 -55.94 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -44.1 -51.4 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.29 -51.88 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -47.25 -49.08 24.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 481' ' ' LEU . 5.4 pt-20 -74.09 -33.33 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 480' ' ' GLU . 12.4 tp -59.0 -35.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.516 ' CE1' HG22 ' A' ' 464' ' ' ILE . 68.4 m-85 -97.94 -41.52 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 486' ' ' GLY . 47.7 t -46.82 -48.96 20.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 9.9 t -39.18 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 524' ' ' LEU . 57.3 m-85 -85.94 -40.5 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -177.24 177.27 48.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.68 134.81 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.4 mt -104.91 137.83 42.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -67.93 -49.53 61.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 13.0 t -172.41 136.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.441 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.9 t -99.89 134.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -124.32 125.63 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.441 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -76.07 67.59 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -157.53 140.65 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -156.32 150.34 21.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 465' ' ' LEU . 17.2 m-85 -114.02 139.19 49.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.88 124.51 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -110.91 141.07 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 464' ' ' ILE . 21.3 m-85 -111.56 162.47 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 34.0 mm -73.44 -43.92 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 18.2 p -113.07 -179.38 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -43.44 11.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -52.4 -62.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -48.1 -37.3 14.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.79 75.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -76.65 -57.03 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 1.9 ptpp? -54.25 -37.12 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -73.69 -55.37 6.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 539' ' ' TRP . 22.3 t80 -44.63 -54.29 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.6 OUTLIER -70.24 -44.34 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.585 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -46.13 -54.14 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.52 HD13 ' CE1' ' A' ' 485' ' ' PHE . 8.0 mp -77.05 -54.39 6.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 37.6 t -34.57 -53.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -37.49 -65.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 88.5 p -155.06 107.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.0 m -125.68 106.43 9.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -106.96 120.72 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.1 tp -133.99 122.13 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.44 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 54.53 33.77 19.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.46 36.33 49.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -140.99 145.19 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.67 99.2 10.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.18 144.94 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.77 125.51 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.05 127.12 51.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.15 146.3 40.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.479 ' CD1' ' CZ ' ' A' ' 521' ' ' PHE . 96.4 m95 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.966 0.413 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . 0.555 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 16.1 ttmm -139.14 117.02 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.433 HG23 ' CE1' ' A' ' 482' ' ' PHE . 96.7 mt -94.13 110.94 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.16 101.83 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.87 126.49 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -115.5 166.15 12.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.7 t30 69.63 34.18 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 470' ' ' PRO . 75.3 mt -75.66 134.47 72.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.403 ' N ' HG21 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 139.95 41.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 471' ' ' PHE . 6.9 t80 -48.4 -42.21 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -55.64 -38.4 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.03 141.61 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -132.42 -179.44 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -47.27 -54.38 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -53.58 -54.34 38.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -41.86 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.1 mm -61.85 -47.88 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -42.47 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.88 -35.81 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.65 -43.62 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 484' ' ' THR . 80.4 m-85 -95.69 -52.18 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 482' ' ' PHE . 3.0 p -36.48 -31.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 482' ' ' PHE . 77.8 m -54.64 -48.49 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.517 ' CE1' HD23 ' A' ' 524' ' ' LEU . 42.0 m-85 -64.7 -43.65 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -166.4 174.27 41.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.78 140.47 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.3 mt -107.2 163.34 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -97.22 -50.62 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.8 t -173.87 131.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 56.3 t -102.73 127.55 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -115.71 124.65 51.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.443 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.6 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.728 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.65 61.23 4.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -162.8 138.18 6.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.02 145.92 17.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . 0.555 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 25.6 m-85 -106.08 125.73 51.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.48 130.79 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -114.68 144.94 42.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.404 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.2 m-85 -113.99 160.52 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.6 -45.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 68.5 p -125.73 137.62 53.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -44.7 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -52.49 -59.34 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -48.49 -40.94 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.78 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -49.88 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -51.08 -58.65 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -54.79 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.5 t80 -40.49 -40.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -58.7 -46.97 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 485' ' ' PHE . 4.4 mm? -54.58 -59.15 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 526' ' ' HIS . 45.9 t -41.72 -53.14 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 525' ' ' CYS . 6.7 t60 -36.62 -57.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 59.9 p -169.83 114.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.6 m -125.43 105.76 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.56 118.48 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.2 tp -130.69 121.86 26.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.522 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.2 m-85 52.03 49.98 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 58.33 35.87 80.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -141.01 155.02 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -102.58 120.27 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.52 154.49 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.24 129.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 524' ' ' LEU . 3.2 mp -110.08 125.88 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.68 133.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 514' ' ' LYS . 19.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.947 0.403 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -145.43 138.9 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 511' ' ' PHE . 63.7 mt -119.97 115.54 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.39 107.91 17.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.55 119.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -106.29 167.5 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.8 t30 68.23 39.83 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.85 130.72 54.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' PHE . 53.7 Cg_endo -69.79 132.34 23.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' PRO . 10.8 t80 -37.59 -46.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -49.9 -47.68 52.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -48.79 138.93 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -129.84 163.77 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -47.31 -35.52 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -65.92 -53.17 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -48.88 -49.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 13.6 mm -64.38 -47.42 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -44.12 -60.85 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.65 -31.01 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.43 -39.11 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.561 ' CE1' HG21 ' A' ' 464' ' ' ILE . 40.5 m-85 -94.93 -52.43 4.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 486' ' ' GLY . 7.4 p -43.95 -46.63 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 483' ' ' SER . 9.0 t -38.03 -34.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' A' ' 523' ' ' ALA . 32.3 m-85 -78.14 -43.09 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -165.49 -169.48 29.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.467 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.05 134.86 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 511' ' ' PHE . 34.3 mt -107.23 145.9 32.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -80.25 -50.15 10.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 5.2 t -173.78 132.74 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 493' ' ' LEU . 54.5 t -99.05 126.93 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -115.41 112.24 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 491' ' ' VAL . 2.3 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.37 60.84 2.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 1.7 p90 -158.23 127.84 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.79 144.47 15.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -107.75 131.15 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.31 132.43 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -111.95 134.73 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 464' ' ' ILE . 9.0 m-85 -107.88 163.08 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 27.6 mm -65.69 -43.54 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.05 157.1 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 462' ' ' SER . 25.4 mttm -57.92 -36.46 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -52.17 -48.3 65.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -69.56 -57.55 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.6 -27.19 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -74.62 -59.96 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 16.9 ptmt -55.89 -43.5 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -61.17 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 537' ' ' LEU . 8.9 t80 -59.47 -38.18 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -70.78 -27.95 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 485' ' ' PHE . . . -87.8 -20.56 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.441 HD12 ' CE1' ' A' ' 482' ' ' PHE . 28.7 mt -98.22 -58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 14.2 p -40.72 -27.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 524' ' ' LEU . 2.3 t-160 -50.35 -61.17 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 t -170.48 109.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.7 123.44 47.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.44 122.22 46.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.0 tp -141.11 122.65 15.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.409 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.2 m-85 51.27 41.14 27.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 64.7 36.43 93.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -138.02 140.09 39.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -95.03 100.4 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.05 147.06 53.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.45 113.51 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 7.0 mp -90.97 133.13 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -144.84 136.96 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 42.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -146.73 132.14 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 18.9 mt -120.94 107.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 506' ' ' PHE . 10.5 tp -97.26 109.25 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 4.5 p -94.32 135.99 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' A' ' 467' ' ' ARG . 10.6 mtp-105 -125.66 177.66 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 9.8 t30 56.97 40.29 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 37.6 mt -82.79 134.95 46.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.5 Cg_endo -69.79 139.12 39.35 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -48.09 -38.59 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -58.4 -42.19 86.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.91 126.8 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -116.74 172.64 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -40.0 -45.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -64.46 -44.71 90.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -49.37 -51.58 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 20.2 mm -65.41 -42.74 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -46.26 -67.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.91 -36.76 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 tp -47.42 -55.92 7.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' A' ' 524' ' ' LEU . 61.4 m-85 -83.69 -47.6 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 25.2 t -42.34 -25.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.802 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 482' ' ' PHE . 20.8 m -54.31 -42.82 70.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -70.9 -42.32 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -167.68 168.92 40.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.17 138.0 58.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 511' ' ' PHE . 94.1 mt -103.42 154.98 18.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -86.03 -47.18 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.5 t -172.88 133.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.551 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 83.3 t -103.07 117.04 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -106.56 118.44 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.551 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -78.61 76.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -162.36 140.36 8.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -167.66 156.29 27.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -107.17 140.64 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.45 129.93 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.11 146.45 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.6 m-85 -119.3 141.24 49.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.8 mm -49.41 -40.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 40.4 p -127.32 150.48 49.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -61.46 -47.94 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -43.35 -42.51 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . 0.479 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 38.8 m-20 -68.45 -46.92 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.13 -53.68 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -63.11 -44.8 94.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -54.87 -58.0 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.08 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 46.1 t80 -45.7 -64.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -58.9 -43.74 91.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.83 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 482' ' ' PHE . 62.0 mt -71.99 -53.19 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 526' ' ' HIS . 1.2 t -34.33 -53.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 525' ' ' CYS . 43.2 t-80 -35.72 -59.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 92.6 p -171.6 108.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 9.9 m -122.96 111.12 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -109.71 118.37 36.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.1 tp -128.62 130.43 47.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.525 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.8 m-85 50.46 27.22 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.41 30.15 41.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -135.41 133.28 38.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -84.84 99.14 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.3 158.66 16.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.8 131.17 70.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.4 mm? -100.84 113.69 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.65 139.14 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.664 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 95.6 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -132.14 116.21 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 482' ' ' PHE . 91.5 mt -89.44 107.54 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -102.76 104.12 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . 0.429 HG23 ' CG1' ' A' ' 469' ' ' ILE . 2.4 p -84.5 149.01 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -138.85 173.05 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.39 35.97 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 44.4 mt -81.13 138.0 49.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.78 176.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.22 -57.37 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -48.33 -35.75 12.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -52.62 116.35 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -116.01 171.7 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -37.56 62.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -63.56 -42.57 98.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.76 -44.22 97.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 10.4 mm -71.1 -54.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -41.85 -53.53 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.26 -42.45 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 tp -45.57 -40.37 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.481 ' CE1' ' HG ' ' A' ' 524' ' ' LEU . 72.2 m-85 -94.43 -46.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 482' ' ' PHE . 23.0 t -37.24 -39.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 18.0 m -48.26 -50.37 29.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -64.1 -42.1 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.91 168.75 41.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.16 140.77 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.5 mt -103.77 152.36 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -87.33 -38.78 15.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.9 t -174.03 147.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.46 ' CG1' HD12 ' A' ' 493' ' ' LEU . 41.3 t -118.54 111.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -104.22 119.99 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.46 HD12 ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.07 62.95 2.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -160.43 170.9 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -174.5 145.57 8.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.7 m-85 -105.18 117.7 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . 0.451 HG22 ' CE2' ' A' ' 482' ' ' PHE . 40.0 t -113.62 130.85 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 148.41 38.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.482 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 12.6 m-85 -118.09 145.4 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 40.8 mm -56.34 -42.7 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 36.1 p -119.4 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -47.81 -50.03 27.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -43.45 -61.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 86.8 m-20 -41.87 -56.64 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.4 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.62 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -44.7 -63.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -49.81 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.611 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 85.2 t80 -34.85 -42.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.65 -61.19 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.75 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.481 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.0 mm? -50.46 -53.99 25.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.47 -35.02 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -43.79 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.8 p -170.84 105.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.0 m -123.41 98.22 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.87 121.11 35.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -130.52 116.54 18.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.457 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 80.3 m-85 62.33 32.01 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.05 31.18 66.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -137.72 126.33 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -75.33 124.2 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 58.5 mt -91.15 153.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 50.6 t -115.1 138.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.71 130.05 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -147.03 145.26 29.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.611 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 95.9 m95 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.977 0.417 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -146.52 115.37 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.53 111.97 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.6 tp -101.42 107.32 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.3 p -90.55 111.43 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -101.06 163.46 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 42.4 t30 67.19 48.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 48.4 mt -85.99 128.36 58.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.74 33.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -41.93 -50.79 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -46.09 -47.88 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -53.55 142.04 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -132.03 162.95 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.94 -51.7 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.13 -44.51 79.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.33 -47.93 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.4 mm -66.7 -54.02 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -41.1 -53.97 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.51 -36.54 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.4 tp -51.1 -51.79 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.507 ' CE1' ' HG ' ' A' ' 524' ' ' LEU . 85.2 m-85 -84.65 -46.23 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 47.0 t -41.51 -33.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 29.0 m -54.19 -49.0 70.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.86 -43.47 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -168.06 172.38 42.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.17 138.19 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.494 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 85.7 mt -107.35 144.22 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -75.0 -44.1 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -172.98 149.87 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.446 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 24.8 t -119.7 123.07 70.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -115.52 121.66 43.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.446 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -90.47 62.55 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -161.64 142.11 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.45 147.55 18.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 465' ' ' LEU . 14.4 m-85 -110.58 127.09 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 69.0 t -123.87 139.09 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.16 152.1 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.494 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 10.2 m-85 -121.9 148.09 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 46.3 mm -53.61 -44.08 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 37.2 p -131.55 176.05 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.86 -34.95 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.45 -61.81 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -61.62 -44.01 97.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.18 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -55.86 -54.9 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -48.32 -71.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -40.07 -66.13 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.8 t80 -43.89 -55.93 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -46.44 -34.04 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -82.01 -48.38 11.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.507 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.3 mm? -60.27 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 14.1 p -49.98 -45.92 52.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.455 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 20.9 t-80 -37.38 -56.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -174.5 105.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 90.2 m -125.21 120.67 31.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . 0.41 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.9 m-70 -119.23 117.06 27.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 12.6 tp -125.0 121.26 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 58.41 32.45 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.84 31.99 57.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -138.35 124.88 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -78.29 104.71 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.04 147.61 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.23 118.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 4.7 mp -98.72 134.57 41.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.47 137.42 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.3 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -146.18 122.01 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . 0.514 HG23 ' CE2' ' A' ' 482' ' ' PHE . 66.8 mt -110.08 107.44 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.23 113.94 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.83 132.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -120.99 166.33 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 21.0 t30 67.64 38.68 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 535' ' ' LEU . 67.0 mt -83.7 133.14 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.67 57.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -49.74 -35.87 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -58.46 -44.03 89.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -46.72 142.43 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 475' ' ' GLN . 94.0 m-20 -132.0 153.69 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 474' ' ' ASN . 36.1 tt0 -38.26 -46.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.83 -45.4 86.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 477' ' ' GLU . 0.1 OUTLIER -48.22 -51.75 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.44 -52.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -41.71 -64.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.31 -46.3 86.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . 0.404 ' O ' ' CG2' ' A' ' 484' ' ' THR . 20.2 tp -40.69 -42.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 524' ' ' LEU . 60.6 m-85 -92.34 -32.14 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.2 t -53.66 -26.44 22.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 481' ' ' LEU . 4.0 t -62.15 -32.7 73.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.538 ' CE1' ' CD2' ' A' ' 524' ' ' LEU . 74.3 m-85 -79.94 -40.98 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -169.48 -171.17 34.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -79.12 137.64 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.428 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 41.2 mt -106.12 143.59 34.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -75.26 -56.09 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.7 t -164.35 140.97 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.422 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 72.0 t -105.52 135.6 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -128.04 124.06 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.422 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.2 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.3 61.65 4.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -157.0 133.23 9.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -142.63 141.52 10.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -104.6 136.12 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.27 122.38 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.66 147.11 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 7.2 m-85 -118.66 157.65 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.44 -50.72 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 75.1 p -123.25 173.36 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -75.32 -57.34 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -38.96 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -54.17 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.23 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -44.64 -61.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -48.63 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.421 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -39.64 -67.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 537' ' ' LEU . 13.1 t80 -45.39 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -42.38 -29.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 485' ' ' PHE . . . -88.17 -35.95 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.538 ' CD2' ' CE1' ' A' ' 485' ' ' PHE . 2.4 mm? -73.05 -55.47 6.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 521' ' ' PHE . 14.6 p -48.29 -31.58 6.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -50.28 -58.09 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.1 t -166.72 106.33 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.4 m -122.59 94.79 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -101.62 135.4 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.3 tp -147.19 127.08 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.562 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.0 m-85 52.39 31.07 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.75 19.61 70.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -130.49 122.99 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.499 ' CG ' ' CE1' ' A' ' 529' ' ' HIS . 1.2 tmt_? -83.12 104.54 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 45.4 mt -62.08 161.16 11.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.1 t -113.59 130.68 67.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 2.6 mm? -98.78 117.74 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -138.64 134.17 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 74.5 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.58 111.09 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.97 100.13 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.75 124.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -111.53 171.1 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 28.8 t30 62.82 35.94 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.35 130.19 82.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.6 57.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.96 -13.32 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -86.78 -11.48 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -97.12 123.69 40.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.79 171.23 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -47.37 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -53.76 -49.96 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.76 -53.94 40.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.98 -47.77 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -46.38 -56.87 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.2 tp -52.61 -40.21 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -95.75 -45.53 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 486' ' ' GLY . 35.2 t -39.64 -51.08 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 61.7 m -38.27 -41.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.432 ' CG ' ' HB2' ' A' ' 520' ' ' ALA . 22.8 m-85 -69.59 -39.02 77.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 483' ' ' SER . . . 179.82 179.15 48.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.64 137.24 57.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 18.8 mt -105.26 157.51 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . 0.42 ' HG3' ' C ' ' A' ' 511' ' ' PHE . 21.5 mttm -86.69 -51.24 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 134.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.0 t -98.0 111.89 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -108.64 119.41 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.726 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.04 68.29 1.68 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -164.28 137.84 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.85 134.78 6.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -100.6 115.94 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.38 139.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.95 147.14 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 12.3 m-85 -118.49 149.25 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 489' ' ' LYS . 33.9 mm -60.87 -42.76 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 1.6 p -118.83 178.61 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -86.95 -38.72 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -50.56 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.1 -41.94 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -57.02 -55.52 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.51 -55.86 28.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -48.11 -58.34 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 485' ' ' PHE . . . -60.83 -34.79 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.626 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 91.3 t80 -59.36 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.445 ' OD1' ' NE2' ' A' ' 526' ' ' HIS . 2.0 p30 -68.6 -45.06 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.91 -55.69 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 525' ' ' CYS . 17.9 mt -73.12 -52.84 12.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -36.3 -47.95 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 522' ' ' ASN . 11.6 m-70 -41.49 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 62.5 m -146.45 106.13 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 38.6 m -122.99 96.29 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -98.33 117.75 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.7 tp -132.37 114.86 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.485 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 70.7 m-85 57.4 46.28 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 61.43 22.06 60.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -135.08 125.89 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -76.33 147.35 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.0 mt -110.17 135.05 51.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.28 109.81 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.97 121.25 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -136.59 156.36 48.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.626 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 89.4 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -142.59 127.01 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -107.87 115.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.03 106.39 14.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 5.0 p -89.23 124.56 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -115.06 172.34 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 505' ' ' GLY . 15.8 t30 59.72 43.5 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 7.9 mt -82.94 132.66 50.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.76 63.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -55.61 -41.24 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.81 -39.21 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.08 141.71 58.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.41 166.15 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -44.03 -52.72 6.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.88 -49.04 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -52.56 -45.55 66.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.63 -47.3 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -52.11 -53.41 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.54 -33.02 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.28 -44.31 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.447 ' CE1' HD23 ' A' ' 524' ' ' LEU . 74.5 m-85 -91.25 -37.12 13.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 15.7 t -53.74 -35.24 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 5.5 t -58.14 -16.1 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.48 ' CE2' HD12 ' A' ' 524' ' ' LEU . 53.1 m-85 -97.8 -42.88 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -163.38 -177.45 36.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . 0.411 ' HB3' ' CG1' ' A' ' 512' ' ' ILE . 4.6 tp10 -70.39 134.95 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 38.0 mt -103.75 147.19 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -89.27 -47.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.7 t -174.13 138.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 36.6 t -112.71 132.86 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -121.71 120.67 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.474 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.0 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 506' ' ' PHE . 4.6 tpt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -77.79 50.38 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -148.16 145.16 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -148.82 141.7 9.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -99.14 127.68 45.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 59.8 t -127.75 116.23 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 22.6 t0 -105.95 149.16 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 6.9 m-85 -117.83 158.84 24.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 487' ' ' GLU . 47.1 mm -69.15 -41.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 71.1 p -119.25 177.7 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -87.42 -55.69 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -41.05 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -75.7 -66.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -40.0 -40.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -40.48 -51.38 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.99 -45.5 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.58 -51.24 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.48 HD12 ' CE2' ' A' ' 485' ' ' PHE . 10.7 mp -79.99 -53.92 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 524' ' ' LEU . 39.4 t -36.13 -56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 525' ' ' CYS . 70.8 t60 -35.99 -58.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.1 t -163.92 106.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 86.1 m -126.14 111.91 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.5 117.77 32.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.4 tp -123.94 130.33 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.7 m-85 44.13 36.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.66 31.19 65.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -89.02 110.01 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.34 141.07 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.27 116.09 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.84 132.6 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 538' ' ' GLU . 3.3 mp0 -143.11 167.68 21.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 96.7 m95 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -141.29 105.09 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 51.0 mt -95.52 109.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.1 tp -104.08 99.13 8.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.1 p -86.17 121.25 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -110.95 172.59 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.96 42.11 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' ILE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 535' ' ' LEU . 41.8 mt -88.64 136.23 31.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.637 0.732 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.75 142.55 48.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -46.13 -42.26 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.99 -42.41 68.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . 0.451 ' CB ' ' CG2' ' A' ' 469' ' ' ILE . . . -48.21 128.88 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -127.09 162.31 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -67.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -42.99 -33.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -63.62 -54.62 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 22.5 mm -68.3 -37.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 483' ' ' SER . 0.0 OUTLIER -51.89 -58.6 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.47 -30.31 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 20.5 tp -56.47 -43.31 79.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' PHE . . . . . 0.553 ' CE1' ' CD2' ' A' ' 524' ' ' LEU . 53.8 m-85 -93.77 -45.6 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' SER . . . . . 0.417 ' HB2' ' NH1' ' A' ' 479' ' ' ARG . 10.6 t -44.34 -36.71 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' THR . . . . . 0.472 HG22 ' CD1' ' A' ' 485' ' ' PHE . 9.1 t -44.48 -43.36 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . 0.472 ' CD1' HG22 ' A' ' 484' ' ' THR . 65.9 m-85 -67.86 -35.77 79.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 174.75 -179.26 46.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.46 142.79 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.427 HD22 ' CZ ' ' A' ' 511' ' ' PHE . 78.1 mt -107.33 157.52 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -87.5 -45.98 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.2 t -169.95 133.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.2 t -103.99 105.07 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -104.03 131.04 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.0 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.905 0.384 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -75.91 66.57 2.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -162.38 134.9 5.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -141.56 144.09 13.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.15 119.49 39.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' VAL . . . . . 0.529 HG21 ' CE2' ' A' ' 482' ' ' PHE . 68.5 t -121.76 125.99 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.69 149.02 41.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 488' ' ' LEU . 13.0 m-85 -115.7 172.46 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 38.6 mm -83.39 -44.49 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 73.0 p -119.17 142.23 48.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -48.92 -60.54 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -39.47 -57.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.31 -40.74 26.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.65 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.41 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 15.3 ptpt -66.93 -38.39 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -72.71 -32.67 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' PHE . . . . . 0.486 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 14.8 t80 -71.85 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 522' ' ' ASN . 0.2 OUTLIER -58.27 -38.06 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.27 61.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' LEU . . . . . 0.553 ' CD2' ' CE1' ' A' ' 482' ' ' PHE . 10.8 mp -68.5 -59.34 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 1.2 p -40.08 -41.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' HIS . . . . . 0.43 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 6.6 m170 -46.69 -50.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 57.2 p -172.46 106.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' THR . . . . . 0.407 HG21 ' CD1' ' A' ' 535' ' ' LEU . 14.5 m -124.95 109.19 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.37 122.45 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 9.0 tp -132.16 127.21 35.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . 0.509 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 79.6 m-85 53.08 28.81 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.63 37.66 39.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -132.74 151.39 52.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -100.21 100.32 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 45.2 mt -75.47 137.52 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.94 128.22 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.97 117.4 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -140.41 137.01 33.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' TRP . . . . . 0.486 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 77.8 m95 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 43.8 t -120.17 92.3 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 36.8 m -109.66 95.6 5.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -112.84 60.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 72.3 p -100.05 84.91 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.2 m -156.79 168.93 25.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 133.62 156.46 8.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -49.3 178.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 30.1 m -45.65 147.39 1.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 137.78 36.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 458' ' ' LYS . 39.6 mttt -93.26 143.65 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 457' ' ' LYS . 33.5 mttp -37.33 -60.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -85.92 129.17 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 12.3 t -89.61 153.36 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.5 m -60.9 107.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 77.3 p -99.7 88.9 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -144.2 112.39 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.67 109.51 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.11 103.82 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.2 p -85.35 120.0 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -111.67 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.8 t30 60.43 41.84 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 75.1 mt -84.5 138.6 38.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 54.4 Cg_endo -69.72 150.55 68.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.24 -11.68 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -86.73 -25.21 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -69.17 141.6 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -132.4 170.33 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.469 ' N ' HD21 ' A' ' 493' ' ' LEU . 1.1 tm0? -44.59 -61.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -51.97 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.23 -56.81 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 479' ' ' ARG . 37.3 mm -68.23 -47.78 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 491' ' ' VAL . 0.2 OUTLIER -37.84 -64.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.55 -48.16 70.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.5 tp -37.78 -38.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.452 ' CZ ' HD12 ' A' ' 524' ' ' LEU . 31.9 m-85 -98.57 -42.41 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 7.5 t -46.43 -44.73 17.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 6.0 t -45.24 -33.35 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 523' ' ' ALA . 24.4 m-85 -78.23 -34.98 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 179.32 173.41 44.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.01 131.79 50.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' A' ' 511' ' ' PHE . 75.0 mt -105.82 128.27 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 510' ' ' ASP . 36.2 mmtt -55.37 -52.5 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' THR . . . . . 0.455 HG23 ' CD ' ' A' ' 492' ' ' ARG . 8.9 t -169.41 129.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.423 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.2 t -100.8 110.54 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . 0.455 ' CD ' HG23 ' A' ' 490' ' ' THR . 1.7 mpp_? -102.96 131.89 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.469 HD21 ' N ' ' A' ' 475' ' ' GLN . 3.0 mp -140.45 147.12 48.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.15 24.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.393 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -114.18 136.09 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -46.61 129.25 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 499' ' ' GLY . 1.9 tmt? -127.9 150.06 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 28.2 m -39.81 95.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 152.88 -178.88 29.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 72.8 p -67.03 139.22 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 81.31 124.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.03 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.567 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.7 t-80 -114.9 110.37 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.567 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 13.5 mmt180 -64.79 -178.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -104.13 61.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -158.41 136.5 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -142.39 144.85 14.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -107.95 127.39 53.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 33.7 t -127.24 122.28 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 489' ' ' LYS . 39.7 t0 -111.18 137.48 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' A' ' 488' ' ' LEU . 12.8 m-85 -105.8 163.97 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 33.5 mm -69.13 -44.45 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 65.9 p -129.58 160.72 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -57.56 -45.83 84.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.56 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -45.19 -34.86 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -73.5 -36.21 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.61 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.15 -41.28 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.06 -54.14 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -44.87 -51.28 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -73.01 -45.09 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 485' ' ' PHE . . . -45.68 -35.79 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 482' ' ' PHE . 94.3 mt -99.42 -53.12 3.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 524' ' ' LEU . 41.4 t -35.15 -52.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 525' ' ' CYS . 13.5 t-160 -35.34 -61.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 63.9 p -166.2 106.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 37.4 m -125.61 114.58 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.522 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 0.3 OUTLIER -110.49 120.6 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.2 tp -129.63 118.05 21.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.482 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 69.6 m-85 61.57 31.76 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.43 57.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -134.56 135.26 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.522 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.1 tmm_? -86.95 99.19 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 93.8 mt -60.19 150.58 29.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.6 t -118.17 106.71 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -88.38 126.69 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -144.73 147.64 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -78.81 110.56 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -43.78 128.56 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.86 127.54 32.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.2 t -102.43 157.26 17.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.19 138.03 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -76.89 114.18 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 7.5 t -124.04 118.63 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.15 122.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.08 158.76 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 11.5 t -101.41 -64.66 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.73 146.25 39.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -177.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.2 m -107.9 88.96 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 t -72.53 90.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.1 m -79.79 93.96 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 3.1 m -45.25 -58.81 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 84.52 92.2 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 35.1 p -88.53 -54.63 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.395 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 82.5 p 42.7 40.19 1.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -94.25 77.79 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -173.28 140.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.07 146.62 37.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 166.53 27.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.47 75.02 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 29.6 mttp 61.92 34.58 16.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -141.65 132.15 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' THR . . . . . 0.406 HG22 ' CD ' ' A' ' 514' ' ' LYS . 68.4 m -108.35 138.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.0 t -133.0 148.68 52.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 63.7 p -112.13 86.63 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -133.76 118.09 17.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.548 HD13 ' CE1' ' A' ' 511' ' ' PHE . 75.0 mt -110.22 108.13 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.42 108.22 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.03 129.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -117.85 170.51 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 505' ' ' GLY . 22.7 t30 63.73 44.22 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 85.9 mt -87.13 138.42 32.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.734 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.71 143.52 51.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.686 2.258 . . . . 0.0 112.394 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.34 -38.48 63.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -58.32 -43.95 88.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -57.53 138.75 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -131.77 177.56 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -45.57 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -41.67 -43.92 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.05 -58.75 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 35.9 mm -56.88 -44.01 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -48.82 -70.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.61 -36.34 71.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 484' ' ' THR . 19.7 tp -47.12 -54.83 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 524' ' ' LEU . 54.8 m-85 -86.24 -49.36 7.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 482' ' ' PHE . 44.3 t -36.75 -40.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 481' ' ' LEU . 6.7 t -45.55 -48.44 14.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.449 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 36.6 m-85 -64.72 -43.33 93.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.32 172.47 44.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -59.59 139.93 56.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 59.8 mt -107.18 152.38 24.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -81.92 -46.41 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.5 t -174.86 136.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.571 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 70.4 t -105.68 112.31 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -103.06 120.7 41.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.571 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.4 mp -130.06 143.99 51.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.62 5.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -117.39 105.17 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -86.57 145.84 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 6.9 mmm -103.69 -61.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 33.2 p -67.21 143.41 56.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 98.53 -154.99 20.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 56.3 m -128.92 75.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 63.24 84.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -113.31 40.88 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.479 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.5 t-80 -69.8 113.21 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.479 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 10.8 ttt-85 -65.6 165.69 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -88.77 60.37 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -151.14 138.24 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -151.54 139.96 7.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -99.89 132.12 45.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.8 126.66 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -111.0 145.53 38.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 464' ' ' ILE . 10.4 m-85 -115.16 156.79 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 32.8 mm -65.79 -46.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 25.2 p -127.82 147.17 50.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.4 mtmm -51.36 -53.86 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 514' ' ' LYS . 77.3 mm-40 -35.1 -64.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -49.11 -49.35 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 521' ' ' PHE . . . -53.02 -39.88 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.6 -57.12 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -49.92 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -56.68 -58.26 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.581 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 25.6 t80 -38.26 -58.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -66.04 -38.97 89.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -53.6 -54.11 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 482' ' ' PHE . 31.9 mt -79.3 -53.33 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 17.8 t -37.83 -40.72 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -54.08 -54.15 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 93.4 p -159.32 107.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.83 114.78 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -118.76 119.24 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -135.09 126.6 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.5 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 84.0 m-85 51.64 38.24 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.22 35.28 82.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -136.49 152.81 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -104.68 102.14 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.1 mt -69.66 147.56 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 65.8 t -115.34 107.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.34 122.66 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -137.9 160.78 38.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.581 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 92.0 m95 -89.03 112.54 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -55.1 134.09 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.66 82.95 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 13.6 t -85.6 115.45 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -75.35 129.66 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.86 149.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 42.0 p -121.95 98.16 5.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 11.7 p -166.64 130.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -88.14 159.43 18.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 16.1 m -44.38 168.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 132.44 82.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 109.98 2.44 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.1 t -76.03 138.38 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.1 m -146.89 167.16 24.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 59.8 p -156.78 173.23 17.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 55.3 m -163.88 177.22 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 147.13 119.71 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 453' ' ' GLY . 44.9 p -160.02 -179.94 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 14.2 t -50.61 91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 451' ' ' SER . . . -82.3 -114.18 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -42.49 150.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.46 144.0 30.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 457' ' ' LYS . 54.0 Cg_endo -69.78 -34.52 14.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 456' ' ' PRO . 19.1 ttmt -34.82 121.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -119.9 86.86 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -130.84 118.09 20.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 9.7 m -76.6 65.91 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 9.2 t -55.86 158.84 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 85.8 p -123.62 86.16 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -145.84 143.79 29.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.442 HD13 ' CE1' ' A' ' 511' ' ' PHE . 70.1 mt -123.41 110.24 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.39 105.0 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.5 p -86.9 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -120.18 164.09 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 505' ' ' GLY . 28.0 t30 67.89 41.28 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 54.1 mt -86.35 132.95 41.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.34 35.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -44.92 -25.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.01 -48.73 64.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -47.59 125.21 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -113.21 160.69 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -44.74 -34.45 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -49.87 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -48.81 -48.29 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.63 -52.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 491' ' ' VAL . 24.5 ttp180 -43.28 -58.11 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.26 -43.29 86.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 tp -45.23 -45.96 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -87.52 -41.9 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 486' ' ' GLY . 14.0 t -44.67 -44.94 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 97.2 m -39.71 -36.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 63.7 m-85 -77.25 -41.49 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -176.67 170.68 43.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.07 139.03 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.439 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 40.0 mt -107.75 154.23 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 510' ' ' ASP . 0.4 OUTLIER -77.67 -52.31 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.0 t -174.51 140.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 479' ' ' ARG . 21.3 t -104.63 128.44 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -118.14 107.53 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.432 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp -132.84 143.71 49.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.9 68.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -124.45 134.19 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 129.2 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 498' ' ' THR . 5.5 mtp -93.07 169.01 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 497' ' ' MET . 49.9 m -34.05 -41.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -68.74 -150.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 17.8 p -130.3 142.09 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 67.2 79.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -121.0 -55.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -55.89 114.97 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 505' ' ' GLY . 42.8 ttt85 -82.62 165.49 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 504' ' ' ARG . . . -81.69 40.99 2.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.89 143.44 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -145.52 149.88 22.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -108.57 129.35 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.59 121.51 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 62.5 t0 -105.95 144.07 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 510' ' ' ASP . 13.0 m-85 -113.91 163.43 15.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 49.4 mm -70.92 -38.57 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 69.1 p -132.77 -174.99 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -85.21 -44.41 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.94 -67.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 516' ' ' ASP . 0.4 OUTLIER -44.23 -50.72 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.52 -56.97 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -52.93 -65.07 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -40.2 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.461 ' HB2' ' CG ' ' A' ' 485' ' ' PHE . . . -45.73 -58.85 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.411 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 43.2 t80 -40.32 -46.17 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -78.19 -29.72 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.549 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -72.03 -25.8 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 525' ' ' CYS . 97.0 mt -102.22 -57.13 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.432 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 36.4 t -37.08 -52.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 527' ' ' SER . 8.2 p-80 -35.97 -50.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 526' ' ' HIS . 3.0 m -173.84 109.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.3 m -124.48 128.88 49.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -123.49 129.58 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -142.69 114.54 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 73.8 m-85 63.24 40.65 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.79 17.01 70.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -124.38 164.47 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -105.9 149.19 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.89 129.68 55.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 83.9 t -88.48 127.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.9 mm? -99.21 116.71 32.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -138.07 164.35 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.411 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 75.4 m95 -102.8 152.89 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -119.91 129.79 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.42 139.59 42.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 3.4 t -93.65 140.62 29.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.07 129.16 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.37 111.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 25.4 m -122.01 97.98 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 92.4 t -131.87 127.37 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -92.86 -52.07 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 17.3 m -45.08 148.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -130.69 82.04 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.7 44.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 m -113.14 -53.34 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 52.7 p -73.43 -50.1 23.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 4.8 m -166.4 120.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 29.2 t -128.94 143.54 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 153.49 84.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 23.7 p -97.15 14.24 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 m -97.22 133.13 42.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -158.13 -115.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -58.14 146.58 32.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 456' ' ' PRO . 4.9 p -115.29 138.77 23.82 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 455' ' ' VAL . 53.5 Cg_endo -69.78 139.61 40.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -107.23 153.84 22.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -91.68 -1.69 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -60.57 174.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 85.4 m -118.0 128.73 55.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 15.2 t -95.41 160.12 14.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 15.2 p -130.56 86.08 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -139.87 120.31 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.529 HG22 ' CZ ' ' A' ' 482' ' ' PHE . 65.2 mt -93.14 119.19 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 508' ' ' PHE . 12.4 tp -110.32 102.49 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 5.9 p -86.58 112.93 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -106.22 166.18 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.08 45.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 10.3 mt -88.43 136.1 31.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.66 -51.73 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -49.36 -24.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.52 135.89 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -130.67 165.36 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -48.07 -47.31 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -60.23 -40.11 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.42 -47.42 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.26 -47.09 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 483' ' ' SER . 30.6 ttt180 -47.79 -49.64 28.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.2 -35.71 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.51 -46.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.529 ' CZ ' HG22 ' A' ' 464' ' ' ILE . 77.6 m-85 -89.98 -50.17 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 29.4 t -36.92 -40.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 88.3 m -46.05 -50.09 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 35.5 m-85 -60.98 -36.83 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.66 46.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.22 138.22 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 511' ' ' PHE . 71.5 mt -104.25 158.97 16.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -91.31 -47.23 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -167.57 141.36 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 38.3 t -114.34 108.42 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -98.69 120.53 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.541 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp -140.86 144.97 37.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.55 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.74 161.47 45.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -112.85 130.65 56.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -90.49 106.09 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 499' ' ' GLY . 20.0 mtm -100.67 168.4 9.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 96.1 m -64.72 74.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 86.87 -172.05 43.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.1 m 51.87 34.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 113.78 132.59 5.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -119.82 -176.28 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.7 t-80 -68.24 107.25 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.19 154.49 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.96 40.94 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.61 150.3 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -154.87 144.5 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 465' ' ' LEU . 8.2 m-85 -104.21 128.94 51.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 25.7 t -126.87 127.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.18 147.21 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.2 m-85 -114.21 155.52 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.56 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 22.0 p -125.57 132.66 52.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 515' ' ' GLN . 7.3 mtpm? -39.57 -54.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 514' ' ' LYS . 45.8 mm-40 -34.76 -59.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . 0.547 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 40.2 m-20 -51.31 -52.22 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -57.75 -66.15 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -44.2 -68.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.477 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -44.99 -64.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.657 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 15.0 t80 -35.78 -51.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.29 -52.0 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.78 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 526' ' ' HIS . 8.9 mp -69.11 -57.65 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 524' ' ' LEU . 4.2 t -35.99 -32.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 524' ' ' LEU . 10.6 t-160 -57.86 -49.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 524' ' ' LEU . 3.6 m -170.19 109.4 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 7.3 m -124.4 111.01 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.409 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 1.4 m80 -115.68 125.61 53.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.5 tp -137.45 118.22 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.472 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 60.09 26.71 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.02 38.92 21.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -144.46 116.26 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.409 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.0 OUTLIER -68.98 103.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.9 147.93 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.87 138.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.44 114.74 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -128.63 149.41 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.657 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 97.0 m95 -76.47 107.17 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -49.05 138.72 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -106.18 78.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 28.8 t -95.51 164.69 12.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -96.73 129.73 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 72.2 t -83.02 117.34 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 24.9 m -83.98 118.12 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.89 116.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.4 140.36 35.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 90.0 p -129.5 169.09 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 162.66 67.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.26 22.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.8 t -142.35 136.45 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 31.3 p -99.32 156.4 17.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 68.9 m -152.98 146.27 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 91.3 p -152.15 177.78 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -142.22 -169.55 12.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 74.1 p -165.22 170.73 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 14.1 m -152.21 156.49 39.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.99 167.81 39.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -115.53 156.84 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.78 80.4 1.24 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.37 40.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -109.82 107.42 17.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.72 165.87 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -45.74 120.27 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.57 79.67 3.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 6.4 t -64.53 166.63 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 12.0 p -130.67 86.72 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 0.9 OUTLIER -146.72 113.03 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.551 HG23 ' CE2' ' A' ' 482' ' ' PHE . 11.7 mt -93.66 107.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.2 tp -102.87 104.18 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 1.1 p -90.84 129.76 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -114.87 175.74 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.8 t30 61.46 40.71 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.1 134.89 35.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.95 61.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -53.95 -26.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -67.47 -38.62 84.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -54.49 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -129.02 157.05 42.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -39.23 -40.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -46.17 74.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.87 -51.04 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.53 -48.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -47.69 -50.03 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -31.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.7 -39.93 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 464' ' ' ILE . 52.2 m-85 -96.81 -47.08 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 19.8 m -43.48 -43.49 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 15.2 t -43.54 -37.56 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CZ ' HD13 ' A' ' 524' ' ' LEU . 46.9 m-85 -73.06 -39.45 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.69 -176.33 41.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.23 135.16 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 511' ' ' PHE . 57.7 mt -104.36 156.72 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -90.58 -48.8 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.8 t -173.03 131.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . . . . . . . . . 25.2 t -100.24 127.32 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 492' ' ' ARG . 4.6 mmm180 -118.21 129.57 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.24 141.03 27.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.466 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 53.9 Cg_endo -69.75 116.14 4.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.352 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -125.0 110.18 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -95.36 108.31 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.5 ttt -78.16 66.02 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 62.07 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 78.15 -101.36 1.71 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.1 m -59.06 -22.92 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 85.3 110.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -107.14 129.5 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.9 t-80 -114.85 125.15 53.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.547 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 4.4 mmm180 -71.34 162.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -91.23 56.35 3.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.607 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -161.2 142.4 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -150.03 144.97 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . 0.485 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 64.0 m-85 -106.5 132.03 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 89.1 t -127.26 124.72 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.62 140.14 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' A' ' 488' ' ' LEU . 9.6 m-85 -112.2 144.46 41.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 46.5 mm -48.77 -51.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 58.3 p -122.76 168.36 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 515' ' ' GLN . 50.8 mttp -68.09 -58.69 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 514' ' ' LYS . 33.0 mt-30 -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -51.83 -47.18 64.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.0 -60.71 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -52.24 -46.19 65.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -51.65 -58.55 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -67.3 -62.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.658 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 4.9 t80 -38.36 -40.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -74.24 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.81 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.544 HD13 ' CZ ' ' A' ' 485' ' ' PHE . 6.5 mp -68.21 -56.92 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -38.23 -39.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -50.47 -52.67 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.8 m -170.83 105.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m -123.49 128.56 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.64 138.27 54.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.4 tp -146.26 116.17 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.501 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 87.3 m-85 58.59 32.39 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.57 20.6 76.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -123.85 126.76 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 534' ' ' ARG . 4.1 tmm_? -77.03 107.79 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.07 144.92 42.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.22 117.33 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.2 mp -97.69 118.91 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -138.17 139.83 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.658 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 96.1 m95 -67.12 120.53 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -56.19 136.44 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -89.89 101.12 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.0 t -107.96 152.5 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -106.03 138.06 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -79.71 97.27 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.7 p -81.46 168.44 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.56 177.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -160.0 129.18 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 12.0 t -121.39 108.93 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 147.89 86.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.01 8.7 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.708 2.272 . . . . 0.0 112.285 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.7 t -100.74 147.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.0 p -160.81 164.82 31.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 87.8 p -103.13 135.19 45.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 28.6 p -105.55 -57.11 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 96.22 131.97 6.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.442 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 2.3 t -83.61 47.74 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 1.5 t 65.34 41.9 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 81.61 -82.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -155.95 165.1 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.7 m -48.25 144.57 6.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.82 63.8 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.653 2.236 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -92.34 134.93 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -73.61 -28.12 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -99.2 118.59 36.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 59.0 m -67.74 82.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 9.0 t -65.5 157.35 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.3 p -127.59 86.8 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -146.39 125.49 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 93.2 mt -108.08 118.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.7 tp -109.77 103.31 12.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 1.7 p -86.34 123.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -111.91 174.62 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 27.6 t30 64.33 32.45 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.418 ' HA ' ' CD2' ' A' ' 535' ' ' LEU . 59.3 mt -78.82 132.53 64.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.751 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 178.64 4.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -72.03 -53.7 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -46.62 -46.96 20.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -39.13 124.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.22 169.58 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -47.23 -44.59 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -61.39 -47.17 87.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -49.56 -55.94 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.37 -40.82 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 491' ' ' VAL . 2.3 tpt180 -43.61 -66.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 481' ' ' LEU . 32.7 mm-40 -65.48 -44.71 86.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 480' ' ' GLU . 14.7 tp -36.49 -44.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 483' ' ' SER . 73.8 m-85 -96.54 -49.11 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 482' ' ' PHE . 8.1 t -37.79 -40.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 96.9 m -50.52 -47.3 57.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.489 ' CG ' ' HB2' ' A' ' 520' ' ' ALA . 28.2 m-85 -64.26 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . 0.416 ' HA3' ' CG ' ' A' ' 516' ' ' ASP . . . -175.29 177.37 47.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.52 141.06 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 78.0 mt -107.43 158.94 16.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -98.39 -40.48 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 3.9 t -167.75 134.53 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 479' ' ' ARG . 12.7 t -111.46 106.34 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -103.43 130.21 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.0 mp -141.0 145.32 38.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.76 116.03 4.37 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -116.59 130.22 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -56.9 123.54 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 498' ' ' THR . 6.5 tpt -86.92 102.21 14.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 497' ' ' MET . 48.1 p 34.41 40.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 104.3 -65.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 31.7 m -45.88 108.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 86.03 138.14 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -119.83 156.48 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.554 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.8 OUTLIER -61.18 123.04 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.492 ' HB3' ' CD1' ' A' ' 506' ' ' PHE . 31.6 ttm180 -96.52 167.85 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.96 69.8 3.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 504' ' ' ARG . 1.7 p90 -163.93 128.83 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -136.68 145.64 17.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.62 117.33 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 57.0 t -120.12 123.69 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -109.66 140.7 43.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -110.53 157.51 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 27.9 mm -66.41 -34.23 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 21.0 p -138.69 165.23 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -71.65 -45.43 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.57 -61.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . 0.416 ' CG ' ' HA3' ' A' ' 486' ' ' GLY . 3.2 t70 -56.39 -40.93 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.94 -48.12 79.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.48 -60.57 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -39.79 -62.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.489 ' HB2' ' CG ' ' A' ' 485' ' ' PHE . . . -59.73 -45.95 90.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.574 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 67.2 t80 -48.41 -55.82 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.62 -50.48 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.46 -56.32 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 525' ' ' CYS . 85.8 mt -73.46 -48.86 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 4.8 t -38.0 -48.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 525' ' ' CYS . 21.5 t-80 -35.91 -62.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 m -167.68 116.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 2.3 m -126.35 105.47 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.47 117.81 32.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.3 tp -130.36 114.88 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.49 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 60.5 m-85 61.51 32.86 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.09 37.31 38.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -144.87 137.27 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -92.04 105.51 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.9 mt -68.94 161.62 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.8 110.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.19 120.2 32.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -141.45 147.47 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.574 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 79.2 m95 -70.01 97.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -39.93 154.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.62 125.19 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 26.9 t -90.27 133.52 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.37 125.69 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.7 137.38 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.0 t -129.7 142.89 50.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.6 m -138.94 164.62 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -138.95 113.02 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.6 m -105.91 99.83 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -72.4 156.5 52.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.71 37.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.4 t -120.15 108.53 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 80.4 p -137.15 142.59 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 10.8 t -173.64 114.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 19.7 m -162.12 161.77 28.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.815 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 165.41 103.45 0.17 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 19.9 m -141.8 166.81 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 m -158.34 145.02 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -138.1 176.37 20.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -106.36 128.35 53.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.7 m -93.57 146.28 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 115.94 4.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -81.53 112.09 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -71.35 -47.1 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.39 156.61 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 12.2 p -85.13 112.25 20.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.9 t -86.2 130.34 34.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 93.6 p -92.07 86.81 5.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -146.62 113.26 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 79.5 mt -108.83 120.46 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.2 tp -113.05 114.04 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.1 p -95.19 130.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -120.67 168.0 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 14.2 t30 66.18 41.55 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 43.4 mt -86.37 137.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 54.1 Cg_endo -69.71 163.53 37.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.22 . . . . 0.0 112.384 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.27 -43.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.09 -33.82 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -74.5 135.94 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -131.36 174.75 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -44.22 -48.81 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -46.32 -46.65 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 50.1 mm -63.88 -54.0 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -43.71 -54.21 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.15 -39.93 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.3 tp -48.19 -52.84 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 483' ' ' SER . 67.8 m-85 -82.45 -48.12 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 482' ' ' PHE . 40.4 t -37.25 -35.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 60.3 m -56.3 -46.75 79.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 523' ' ' ALA . 54.2 m-85 -67.54 -31.88 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 177.71 166.74 34.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.84 137.6 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 48.9 mt -106.31 158.43 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -88.06 -44.39 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.8 t -174.0 148.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 97.5 t -120.54 122.82 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -116.48 111.92 20.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.462 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp -130.39 143.61 49.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 506' ' ' PHE . 53.3 Cg_endo -69.8 139.96 41.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -120.92 115.81 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 497' ' ' MET . 19.5 tttp -105.0 144.57 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.439 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 6.4 mmm -69.53 160.27 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 43.7 p -68.94 111.33 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 179.18 -150.47 9.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.3 m -54.6 102.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . 0.419 ' C ' ' HE2' ' A' ' 496' ' ' LYS . . . 86.4 -175.19 47.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.432 ' C ' ' HD3' ' A' ' 496' ' ' LYS . . . -125.36 -174.94 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.84 170.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -79.52 139.66 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.1 73.43 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -163.73 132.63 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.899 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.53 139.89 8.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -102.12 133.63 46.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 61.2 t -127.07 138.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.37 142.85 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.04 156.33 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.96 -43.46 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.0 p -120.42 173.78 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -34.03 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -59.42 -46.39 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -46.39 78.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.73 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -56.41 -51.69 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -48.47 -54.46 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.546 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 17.8 t80 -57.78 -58.47 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.15 -48.31 76.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.504 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -48.13 -56.78 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 525' ' ' CYS . 92.3 mt -72.36 -56.63 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 524' ' ' LEU . 26.4 t -34.28 -53.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -37.65 -65.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.0 t -152.71 109.35 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.48 120.11 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -117.57 128.95 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.8 tp -143.01 112.4 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.522 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.0 m-85 63.06 35.64 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.23 67.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.15 140.22 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -85.98 147.87 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 19.9 mt -111.33 132.62 54.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.19 111.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.0 mp -98.36 118.57 35.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -138.56 146.15 41.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.546 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 89.1 m95 -72.28 103.07 3.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.06 147.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -59.61 131.47 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 54.6 m -71.64 118.64 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.06 133.64 45.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.4 p -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 546' ' ' VAL . 2.5 t -138.31 109.57 6.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 545' ' ' THR . 34.2 m 35.83 39.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -101.75 109.69 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 10.4 t -132.05 -44.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 83.24 83.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.96 55.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.381 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.6 m -97.87 -61.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 80.8 p -67.97 172.63 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.3 t -157.11 126.84 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 30.1 t -123.78 126.45 46.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 123.85 133.82 4.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.561 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 31.0 t -127.69 -52.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.9 m -61.9 101.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -175.97 43.78 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -112.17 94.58 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 15.3 m -127.4 144.66 51.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 166.4 27.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -108.28 -53.19 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -70.12 -51.43 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -59.29 149.26 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 22.2 m -140.01 108.3 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.7 t -91.95 148.97 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 99.3 p -111.91 86.29 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -145.92 131.42 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 511' ' ' PHE . 59.3 mt -110.12 109.12 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -103.61 109.17 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.2 p -94.47 136.52 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -121.31 166.34 14.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 50.7 t30 70.39 32.36 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.65 129.92 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.68 43.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 0.0 112.368 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -44.98 -32.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.74 -43.18 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -56.46 130.66 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -129.07 170.7 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 493' ' ' LEU . 25.5 mt-30 -40.09 -51.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 477' ' ' GLU . 34.3 ttt180 -52.27 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 476' ' ' ARG . 1.0 OUTLIER -34.71 -52.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 31.5 mm -61.7 -50.38 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 483' ' ' SER . 42.1 ttt180 -48.24 -57.68 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.69 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.2 tp -48.28 -53.95 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 464' ' ' ILE . 81.4 m-85 -86.39 -49.87 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 45.7 t -38.51 -34.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 56.8 m -52.99 -46.83 68.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -64.43 -40.79 96.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -173.32 177.4 45.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.81 141.8 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.374 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 61.8 mt -106.69 159.26 16.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 512' ' ' ILE . 25.4 mmtt -93.86 -45.23 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.0 t -169.71 139.58 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.0 t -108.27 107.32 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -101.85 125.17 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.499 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.1 mp -135.11 143.14 44.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.9 Cg_endo -69.74 153.57 68.88 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -123.96 138.77 54.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -90.46 162.96 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 499' ' ' GLY . 3.7 mpp? -101.11 119.8 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 35.0 m -41.14 94.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 179.15 -96.2 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 29.2 m -134.02 125.11 27.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 102.52 147.49 19.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -99.07 175.75 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.565 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.0 OUTLIER -58.09 163.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -66.94 143.85 56.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.28 63.18 3.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 1.0 OUTLIER -159.47 151.09 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -147.2 147.8 18.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . 0.414 ' CE1' HD13 ' A' ' 465' ' ' LEU . 7.5 m-85 -113.21 123.06 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 67.6 t -123.57 118.57 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -99.21 145.56 27.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.8 m-85 -115.24 160.01 20.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 489' ' ' LYS . 32.5 mm -70.05 -37.8 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 76.2 p -137.71 -176.16 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -85.01 -39.16 18.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -46.43 -65.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.45 -44.76 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -46.95 -61.42 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -60.01 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -38.15 -55.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.08 -59.68 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.684 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 7.0 t80 -36.8 -56.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -65.34 -45.72 83.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.44 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 525' ' ' CYS . 81.6 mt -83.52 -55.68 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 6.8 t -34.67 -47.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -41.73 -64.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 t -160.72 105.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.1 m -122.9 124.02 42.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -120.23 131.34 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 9.6 tp -140.67 131.04 25.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 46.11 28.14 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.9 29.4 42.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -137.01 135.88 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -86.98 110.88 20.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 65.2 mt -74.32 148.97 40.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.11 131.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 537' ' ' LEU . 3.7 mm? -100.96 115.18 29.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.68 136.4 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.684 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 82.3 m95 -76.08 122.93 24.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -53.12 126.19 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.61 109.49 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 54.7 p -83.72 150.5 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -87.74 130.82 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 545' ' ' THR . 7.3 p -109.05 138.61 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' THR . . . . . 0.444 ' N ' HG23 ' A' ' 544' ' ' VAL . 41.0 p -129.42 45.45 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 84.2 t -94.27 122.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -92.11 141.89 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 95.8 p -93.83 163.94 13.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -165.14 153.68 23.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 149.04 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.3 p -168.66 154.94 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 33.5 m -141.71 119.57 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 47.0 t -133.17 127.77 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 68.23 131.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 452' ' ' SER . 32.8 m -83.4 39.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 451' ' ' SER . 97.8 p 37.78 51.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -123.57 71.77 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -105.22 28.47 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.92 140.53 37.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.57 56.45 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -66.91 156.2 36.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -117.5 -40.96 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -79.34 148.81 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 9.1 m -97.8 89.19 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.1 t -89.64 163.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 17.2 p -128.58 85.95 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.416 ' HE3' ' CB ' ' A' ' 540' ' ' ALA . 20.2 ttpt -143.24 112.21 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 511' ' ' PHE . 40.8 mt -89.34 117.89 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.3 tp -112.2 100.98 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 6.3 p -83.92 124.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -116.29 171.42 7.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.03 35.27 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 75.5 mt -75.28 138.06 71.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.75 165.9 29.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -68.91 -37.04 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.91 -42.02 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . 0.439 ' CB ' ' HG2' ' A' ' 470' ' ' PRO . . . -55.23 135.45 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.02 176.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -55.07 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -50.41 -44.44 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.93 -58.98 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.62 -43.83 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.458 ' O ' ' CD1' ' A' ' 488' ' ' LEU . 23.7 ttp180 -52.28 -65.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.49 -30.96 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 30.4 tp -53.31 -48.96 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.541 ' CZ ' HD23 ' A' ' 524' ' ' LEU . 45.6 m-85 -85.27 -34.05 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 4.0 p -51.05 -37.51 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 87.4 m -51.94 -23.62 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.542 ' CZ ' HD12 ' A' ' 524' ' ' LEU . 83.3 m-85 -89.78 -42.37 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.41 40.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.38 133.1 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 479' ' ' ARG . 49.5 mt -104.62 146.47 28.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -82.15 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 15.2 t -157.16 145.31 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 493' ' ' LEU . 23.0 t -114.25 135.69 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -122.8 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.453 HD13 ' CG1' ' A' ' 491' ' ' VAL . 2.6 mp -140.96 149.2 55.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.78 139.69 40.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -97.05 135.57 38.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -49.66 106.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.452 ' N ' ' HB3' ' A' ' 502' ' ' ALA . 13.0 mtm -108.54 144.38 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 13.1 t -49.45 163.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 75.76 165.46 17.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 51.3 p -57.62 124.03 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 111.174 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 92.82 74.71 1.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.452 ' HB3' ' N ' ' A' ' 497' ' ' MET . . . -88.42 -74.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.5 t-80 -104.81 105.96 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.67 171.05 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -101.85 63.85 0.49 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.2 OUTLIER -159.99 124.0 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -137.73 149.61 20.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -105.55 132.37 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . 0.43 ' CG1' HD21 ' A' ' 488' ' ' LEU . 50.6 t -127.36 112.53 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -96.09 142.01 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.424 ' CD1' HD12 ' A' ' 464' ' ' ILE . 13.9 m-85 -111.69 151.95 28.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 45.0 mm -62.04 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 54.4 p -127.93 137.42 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -45.47 -42.82 10.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 518' ' ' LYS . 15.4 mm100 -53.21 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.29 -44.44 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.01 86.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 515' ' ' GLN . 28.3 mttm -69.82 -61.41 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 522' ' ' ASN . 7.1 ptmt -49.79 -39.25 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.99 -57.91 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 9.9 t80 -37.88 -53.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.2 OUTLIER -65.87 -46.46 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.427 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -49.93 -51.73 38.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.542 HD12 ' CZ ' ' A' ' 485' ' ' PHE . 7.4 mp -76.67 -55.21 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 35.4 t -40.38 -48.24 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -38.2 -57.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.3 p -173.62 105.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 30.5 m -122.07 122.37 39.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.447 ' CE1' ' HE ' ' A' ' 534' ' ' ARG . 1.5 m80 -111.04 118.9 37.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.4 tp -129.94 114.61 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.491 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.9 m-85 57.33 39.91 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.14 36.11 84.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -143.67 146.39 33.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.447 ' HE ' ' CE1' ' A' ' 529' ' ' HIS . 13.3 tpp85 -98.3 121.01 39.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 71.3 mt -85.85 143.65 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.4 t -97.85 127.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 2.1 mm? -99.91 116.06 31.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -129.52 157.98 40.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.493 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 94.8 m95 -100.57 98.25 8.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 539' ' ' TRP . . . -35.34 145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.03 109.99 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 8.7 t -73.44 117.95 15.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.04 132.48 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 1.6 t -114.84 126.85 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 25.8 p -93.6 119.78 33.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 3.3 p -167.43 145.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -147.92 132.65 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 6.4 t -64.72 169.04 5.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.29 88.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.12 34.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 75.1 m -78.29 178.53 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 16.8 t -128.21 179.59 5.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 86.6 p -169.44 143.67 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 23.0 t -146.88 122.29 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -167.78 106.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 8.6 t -172.64 156.94 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 55.6 p -147.15 172.43 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 172.94 68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -155.99 140.96 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 98.2 t -128.76 81.96 69.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.737 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -32.37 18.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.0 147.22 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.97 -59.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -135.65 169.64 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 21.0 m -125.13 130.45 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.1 t -111.24 150.98 28.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 14.0 p -104.72 86.08 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.4 mtmm -146.68 120.69 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.52 HG23 ' CE1' ' A' ' 482' ' ' PHE . 78.0 mt -104.44 109.05 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.13 98.47 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.94 110.03 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . 0.401 HH12 ' CG1' ' A' ' 536' ' ' VAL . 5.4 ttp-105 -101.31 164.82 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 15.0 t30 71.31 43.0 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 81.9 mt -83.75 134.03 45.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.445 ' HG2' ' CB ' ' A' ' 473' ' ' ALA . 54.1 Cg_endo -69.73 160.53 49.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -54.36 -51.11 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -54.45 -49.56 69.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 470' ' ' PRO . . . -50.19 107.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -115.71 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.468 ' NE2' HG13 ' A' ' 491' ' ' VAL . 12.9 tp60 -40.01 -66.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 477' ' ' GLU . 7.2 ttm105 -44.72 -61.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 476' ' ' ARG . 23.5 mm-40 -34.43 -54.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 479' ' ' ARG . 4.1 mm -63.7 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 478' ' ' ILE . 17.2 ttp180 -36.53 -64.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 481' ' ' LEU . 9.3 pt-20 -63.83 -49.25 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 480' ' ' GLU . 16.4 tp -35.35 -43.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 464' ' ' ILE . 46.7 m-85 -94.58 -42.58 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.0 t -40.7 -42.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 62.3 m -40.37 -47.73 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 520' ' ' ALA . 49.4 m-85 -65.57 -42.88 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -177.78 175.56 47.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.46 143.01 54.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 36.6 mt -107.63 153.77 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 512' ' ' ILE . 0.1 OUTLIER -81.73 -53.15 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 11.4 t -168.9 135.54 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.468 HG13 ' NE2' ' A' ' 475' ' ' GLN . 71.8 t -100.81 135.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -128.37 123.04 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.412 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.2 mp -135.77 143.68 45.63 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.43 28.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -124.19 116.88 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.446 ' CE ' ' HA3' ' A' ' 499' ' ' GLY . 17.9 ttpt -91.87 157.97 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -123.57 -33.29 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 1.7 t -80.58 6.34 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.446 ' HA3' ' CE ' ' A' ' 496' ' ' LYS . . . -127.79 147.1 17.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 1.7 t -75.71 60.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 82.73 47.65 5.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -121.78 94.72 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.59 165.02 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -80.37 134.59 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -67.92 71.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 506' ' ' PHE . 2.0 p90 -164.69 123.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.65 146.58 17.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.63 128.03 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.34 132.15 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.31 142.01 47.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -114.51 164.67 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.459 ' CD1' ' HE3' ' A' ' 489' ' ' LYS . 33.4 mm -77.43 -36.09 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.9 p -133.72 146.21 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.6 mtpp -51.31 -52.15 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 514' ' ' LYS . 39.7 mt-30 -35.91 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -44.06 -38.37 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.2 -50.26 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 14.0 ptpt -67.23 -36.62 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -61.91 -55.99 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 525' ' ' CYS . 9.4 t80 -61.34 -52.74 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -54.65 -28.72 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -81.57 -56.91 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.449 ' CD1' ' CE1' ' A' ' 485' ' ' PHE . 6.9 mp -64.23 -56.06 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 521' ' ' PHE . 4.4 p -46.33 -27.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.74 -45.41 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.1 t -174.27 108.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 96.2 m -125.22 125.43 43.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -119.67 119.49 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 16.3 tp -135.25 114.54 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.51 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 65.1 m-85 55.89 48.48 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 59.95 36.73 91.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -140.18 154.69 47.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -106.88 100.77 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.34 149.35 42.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.401 ' CG1' HH12 ' A' ' 467' ' ' ARG . 24.4 t -102.97 121.84 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 3.4 mm? -97.74 123.64 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -149.88 131.06 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -73.13 108.43 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -43.2 158.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -106.31 130.96 54.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 36.6 p -61.73 120.28 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -104.66 154.43 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 11.7 m -62.56 136.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 76.4 m -124.27 121.97 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.69 176.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -163.69 116.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 51.7 p -89.69 117.13 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -66.34 145.83 47.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.9 67.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.6 m -95.87 142.0 28.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 t -96.48 137.5 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 t 48.6 41.9 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 2.3 m -154.61 145.1 22.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 80.23 -66.81 3.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 68.2 m 59.17 38.23 23.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 95.8 p -121.31 90.59 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -81.27 -169.87 42.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -75.32 106.43 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.29 143.44 39.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 170.99 15.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 17.09 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -46.38 -46.57 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -146.36 165.48 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 20.3 p -95.3 120.02 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 6.5 t -96.13 153.68 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.0 m -119.68 91.08 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -141.99 110.69 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 511' ' ' PHE . 55.3 mt -104.93 114.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 508' ' ' PHE . 17.1 tp -108.3 106.31 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.2 p -91.36 120.54 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -111.54 173.02 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 19.9 t30 58.8 45.31 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 470' ' ' PRO . 73.3 mt -86.97 135.39 35.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.403 ' N ' HG22 ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.76 148.13 64.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.52 -38.25 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.78 -49.81 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -54.11 123.33 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -114.51 176.95 4.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -48.0 -52.13 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -52.19 -55.94 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -44.1 -51.4 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.29 -51.88 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -47.25 -49.08 24.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 481' ' ' LEU . 5.4 pt-20 -74.09 -33.33 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 480' ' ' GLU . 12.4 tp -59.0 -35.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.516 ' CE1' HG22 ' A' ' 464' ' ' ILE . 68.4 m-85 -97.94 -41.52 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 486' ' ' GLY . 47.7 t -46.82 -48.96 20.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 9.9 t -39.18 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 524' ' ' LEU . 57.3 m-85 -85.94 -40.5 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -177.24 177.27 48.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.68 134.81 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.4 mt -104.91 137.83 42.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -67.93 -49.53 61.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 13.0 t -172.41 136.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.441 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.9 t -99.89 134.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -124.32 125.63 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.441 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.1 mp -140.53 144.42 36.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.546 ' HB3' ' CE2' ' A' ' 506' ' ' PHE . 54.2 Cg_endo -69.77 117.75 5.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 108.35 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -89.01 132.6 34.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.507 ' O ' ' C ' ' A' ' 498' ' ' THR . 0.0 OUTLIER -102.57 -178.28 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 497' ' ' MET . 2.5 t 29.17 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 497' ' ' MET . . . -136.74 -163.72 9.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.0 t -123.98 60.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 67.44 69.46 1.36 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -106.31 44.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.64 109.16 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 149.32 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -76.07 67.59 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 494' ' ' PRO . 2.1 p90 -157.53 140.65 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -156.32 150.34 21.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 465' ' ' LEU . 17.2 m-85 -114.02 139.19 49.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.88 124.51 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -110.91 141.07 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 464' ' ' ILE . 21.3 m-85 -111.56 162.47 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 34.0 mm -73.44 -43.92 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 18.2 p -113.07 -179.38 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -43.44 11.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -52.4 -62.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -48.1 -37.3 14.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.79 75.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -76.65 -57.03 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 1.9 ptpp? -54.25 -37.12 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -73.69 -55.37 6.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 539' ' ' TRP . 22.3 t80 -44.63 -54.29 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.6 OUTLIER -70.24 -44.34 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.585 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -46.13 -54.14 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.52 HD13 ' CE1' ' A' ' 485' ' ' PHE . 8.0 mp -77.05 -54.39 6.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 37.6 t -34.57 -53.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -37.49 -65.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 88.5 p -155.06 107.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.0 m -125.68 106.43 9.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -106.96 120.72 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.1 tp -133.99 122.13 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.44 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 54.53 33.77 19.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.46 36.33 49.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -140.99 145.19 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.67 99.2 10.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.18 144.94 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.77 125.51 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.05 127.12 51.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.15 146.3 40.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.479 ' CD1' ' CZ ' ' A' ' 521' ' ' PHE . 96.4 m95 -78.26 100.58 6.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.84 143.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.76 131.37 39.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 43.7 p -109.36 156.91 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -53.18 140.5 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.49 135.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 546' ' ' VAL . 8.8 t -119.79 -27.85 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.453 ' N ' HG22 ' A' ' 545' ' ' THR . 15.0 p 35.39 43.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -67.46 137.96 56.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 38.1 t -170.08 157.48 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -145.3 81.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.73 29.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.1 m 38.47 43.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 19.5 m -150.87 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.1 t -98.96 135.85 39.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.829 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 10.6 m -83.88 -50.62 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -161.6 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 54.3 p -125.68 139.54 53.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 98.3 p -120.13 94.4 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -130.27 96.74 0.37 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -95.36 124.5 39.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 49.1 t -107.45 81.73 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 92.23 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.58 109.36 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -69.2 -49.13 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.24 73.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 30.2 m -57.94 141.87 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.1 t -129.98 148.73 51.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 73.9 p -125.76 86.14 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.555 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 16.1 ttmm -139.14 117.02 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.433 HG23 ' CE1' ' A' ' 482' ' ' PHE . 96.7 mt -94.13 110.94 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.16 101.83 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.87 126.49 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -115.5 166.15 12.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.7 t30 69.63 34.18 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 470' ' ' PRO . 75.3 mt -75.66 134.47 72.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.403 ' N ' HG21 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 139.95 41.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 471' ' ' PHE . 6.9 t80 -48.4 -42.21 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -55.64 -38.4 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.03 141.61 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -132.42 -179.44 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -47.27 -54.38 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -53.58 -54.34 38.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -41.86 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.1 mm -61.85 -47.88 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -42.47 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.88 -35.81 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.65 -43.62 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 484' ' ' THR . 80.4 m-85 -95.69 -52.18 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 482' ' ' PHE . 3.0 p -36.48 -31.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 482' ' ' PHE . 77.8 m -54.64 -48.49 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.517 ' CE1' HD23 ' A' ' 524' ' ' LEU . 42.0 m-85 -64.7 -43.65 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -166.4 174.27 41.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.78 140.47 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.3 mt -107.2 163.34 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -97.22 -50.62 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.8 t -173.87 131.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 56.3 t -102.73 127.55 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -115.71 124.65 51.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.443 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.6 mp -140.39 143.88 34.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.728 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 132.74 23.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 0.0 112.361 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -99.14 131.39 45.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -66.77 141.26 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 63.9 mmm -120.64 156.09 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 70.5 p -66.53 -41.36 88.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -87.93 -96.68 0.94 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 75.8 p -110.68 151.19 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 95.5 96.85 1.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -113.49 158.38 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.13 109.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -77.67 164.42 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.65 61.23 4.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -162.8 138.18 6.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.02 145.92 17.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . 0.555 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 25.6 m-85 -106.08 125.73 51.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.48 130.79 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -114.68 144.94 42.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.404 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.2 m-85 -113.99 160.52 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.6 -45.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 68.5 p -125.73 137.62 53.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -44.7 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -52.49 -59.34 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -48.49 -40.94 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.78 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -49.88 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -51.08 -58.65 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -54.79 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.5 t80 -40.49 -40.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -58.7 -46.97 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 485' ' ' PHE . 4.4 mm? -54.58 -59.15 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 526' ' ' HIS . 45.9 t -41.72 -53.14 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 525' ' ' CYS . 6.7 t60 -36.62 -57.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 59.9 p -169.83 114.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.6 m -125.43 105.76 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.56 118.48 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.2 tp -130.69 121.86 26.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.522 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.2 m-85 52.03 49.98 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 58.33 35.87 80.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -141.01 155.02 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -102.58 120.27 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.52 154.49 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.24 129.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 524' ' ' LEU . 3.2 mp -110.08 125.88 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.68 133.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -67.29 115.77 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -52.81 145.18 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.75 127.71 35.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 46.6 t -106.39 138.42 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.64 127.36 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 6.1 m -63.56 138.85 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 74.6 p -104.69 168.79 8.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.98 158.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -130.44 101.32 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 93.6 p -148.33 142.45 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 141.26 74.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.44 12.66 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.662 2.242 . . . . 0.0 112.346 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 53.2 p -146.21 141.03 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -48.01 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.546 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 46.9 t -136.23 137.02 40.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 13.2 t -63.98 -57.48 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 146.74 151.46 5.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 47.6 m -160.69 131.18 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.6 m -127.13 148.95 50.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -99.76 164.11 19.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -150.3 117.22 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.86 141.63 24.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -11.6 31.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.33 142.06 50.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -97.38 36.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -142.99 127.69 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 6.8 m -78.76 98.68 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.8 t -112.54 151.26 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 514' ' ' LYS . 19.8 p -107.42 86.1 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.455 ' HG2' ' CB ' ' A' ' 540' ' ' ALA . 8.1 tppt? -145.43 138.9 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 511' ' ' PHE . 63.7 mt -119.97 115.54 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.39 107.91 17.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.2 p -93.55 119.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -106.29 167.5 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.8 t30 68.23 39.83 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.85 130.72 54.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' PHE . 53.7 Cg_endo -69.79 132.34 23.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' PRO . 10.8 t80 -37.59 -46.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -49.9 -47.68 52.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -48.79 138.93 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -129.84 163.77 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -47.31 -35.52 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -65.92 -53.17 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -48.88 -49.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 13.6 mm -64.38 -47.42 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -44.12 -60.85 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.65 -31.01 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.43 -39.11 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.561 ' CE1' HG21 ' A' ' 464' ' ' ILE . 40.5 m-85 -94.93 -52.43 4.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 486' ' ' GLY . 7.4 p -43.95 -46.63 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 483' ' ' SER . 9.0 t -38.03 -34.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' A' ' 523' ' ' ALA . 32.3 m-85 -78.14 -43.09 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -165.49 -169.48 29.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.467 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.05 134.86 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 511' ' ' PHE . 34.3 mt -107.23 145.9 32.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -80.25 -50.15 10.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 5.2 t -173.78 132.74 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 493' ' ' LEU . 54.5 t -99.05 126.93 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -115.41 112.24 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 491' ' ' VAL . 2.3 mp -139.27 141.21 28.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 151.86 68.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 140.33 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 502' ' ' ALA . 13.6 tmtt? -69.2 108.41 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.04 -50.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 33.8 p -50.32 173.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -42.79 -69.86 0.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 56.8 m -146.09 135.17 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 73.31 88.27 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 496' ' ' LYS . . . -122.7 -64.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.431 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 0.7 OUTLIER -55.3 114.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -88.7 158.54 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.37 60.84 2.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 1.7 p90 -158.23 127.84 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.79 144.47 15.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -107.75 131.15 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.31 132.43 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -111.95 134.73 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 464' ' ' ILE . 9.0 m-85 -107.88 163.08 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 27.6 mm -65.69 -43.54 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.05 157.1 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 462' ' ' SER . 25.4 mttm -57.92 -36.46 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -52.17 -48.3 65.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -69.56 -57.55 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.6 -27.19 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -74.62 -59.96 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 16.9 ptmt -55.89 -43.5 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -61.17 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 537' ' ' LEU . 8.9 t80 -59.47 -38.18 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -70.78 -27.95 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 485' ' ' PHE . . . -87.8 -20.56 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.441 HD12 ' CE1' ' A' ' 482' ' ' PHE . 28.7 mt -98.22 -58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 14.2 p -40.72 -27.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 524' ' ' LEU . 2.3 t-160 -50.35 -61.17 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 t -170.48 109.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.7 123.44 47.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.44 122.22 46.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.0 tp -141.11 122.65 15.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.409 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.2 m-85 51.27 41.14 27.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 64.7 36.43 93.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -138.02 140.09 39.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -95.03 100.4 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.05 147.06 53.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.45 113.51 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 7.0 mp -90.97 133.13 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -144.84 136.96 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -69.38 109.64 4.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . 0.455 ' CB ' ' HG2' ' A' ' 463' ' ' LYS . . . -47.21 124.05 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.43 91.59 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 3.2 m -71.6 120.1 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.05 138.87 58.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.62 121.82 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 32.1 p -125.22 123.61 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.71 141.97 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -146.43 142.17 27.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 39.3 t -127.99 122.63 32.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.5 142.23 16.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 155.56 65.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.378 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 27.0 m -118.93 132.6 56.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 57.9 p -116.76 42.73 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 28.6 t -153.44 106.33 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 14.4 m -110.62 152.74 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -174.94 160.3 29.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 49.5 p -162.75 124.55 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.859 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 22.6 t -119.31 101.67 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -128.05 39.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 455' ' ' VAL . 39.6 tt0 -44.28 157.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 454' ' ' GLN . 34.0 m -148.97 144.74 18.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.36 8.18 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.44 45.43 2.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -171.71 165.7 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -72.97 149.43 43.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 26.7 m -71.19 112.9 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.9 t -41.47 130.61 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 42.7 p -97.55 86.08 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -146.73 132.14 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 18.9 mt -120.94 107.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 506' ' ' PHE . 10.5 tp -97.26 109.25 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 4.5 p -94.32 135.99 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' A' ' 467' ' ' ARG . 10.6 mtp-105 -125.66 177.66 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 9.8 t30 56.97 40.29 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 37.6 mt -82.79 134.95 46.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.5 Cg_endo -69.79 139.12 39.35 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -48.09 -38.59 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -58.4 -42.19 86.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.91 126.8 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -116.74 172.64 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -40.0 -45.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -64.46 -44.71 90.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -49.37 -51.58 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 20.2 mm -65.41 -42.74 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -46.26 -67.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.91 -36.76 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 tp -47.42 -55.92 7.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.582 ' CE2' ' CD1' ' A' ' 524' ' ' LEU . 61.4 m-85 -83.69 -47.6 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 25.2 t -42.34 -25.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.802 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 482' ' ' PHE . 20.8 m -54.31 -42.82 70.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -70.9 -42.32 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -167.68 168.92 40.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.17 138.0 58.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 511' ' ' PHE . 94.1 mt -103.42 154.98 18.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -86.03 -47.18 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.5 t -172.88 133.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.551 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 83.3 t -103.07 117.04 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -106.56 118.44 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.551 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp -135.73 142.4 40.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 122.33 9.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 131.94 53.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -89.3 134.51 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 6.6 tpt -68.1 -49.28 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 22.1 p -132.93 158.41 42.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 100.02 168.77 29.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 24.3 m -119.55 140.64 50.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 60.63 67.33 2.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -120.14 -41.08 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.04 132.76 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -100.75 169.38 9.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -78.61 76.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -162.36 140.36 8.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -167.66 156.29 27.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -107.17 140.64 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.45 129.93 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.11 146.45 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.6 m-85 -119.3 141.24 49.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 47.8 mm -49.41 -40.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 40.4 p -127.32 150.48 49.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -61.46 -47.94 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -43.35 -42.51 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . 0.479 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 38.8 m-20 -68.45 -46.92 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.13 -53.68 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -63.11 -44.8 94.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -54.87 -58.0 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.08 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 46.1 t80 -45.7 -64.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -58.9 -43.74 91.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.83 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 482' ' ' PHE . 62.0 mt -71.99 -53.19 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 526' ' ' HIS . 1.2 t -34.33 -53.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 525' ' ' CYS . 43.2 t-80 -35.72 -59.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 92.6 p -171.6 108.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 9.9 m -122.96 111.12 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -109.71 118.37 36.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.1 tp -128.62 130.43 47.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.525 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.8 m-85 50.46 27.22 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.41 30.15 41.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -135.41 133.28 38.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -84.84 99.14 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.3 158.66 16.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.8 131.17 70.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.4 mm? -100.84 113.69 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.65 139.14 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.664 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 95.6 m95 -75.65 106.15 7.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -40.5 125.16 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.86 133.91 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 69.6 m -109.89 114.44 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.65 130.26 39.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.01 100.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 1.7 m -61.99 -63.21 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.1 t -133.83 122.1 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -84.32 144.72 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 94.1 p -135.65 134.14 38.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -150.61 -79.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.48 2.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 25.6 t -108.71 129.55 55.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 11.1 m -78.55 132.72 37.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 2.9 m -99.12 116.35 31.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 2.9 t -75.19 143.3 43.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 40.62 61.27 1.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 2.4 m -74.94 -57.71 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.5 m -50.31 129.08 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -56.52 -109.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -146.1 114.47 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 4.5 p -162.31 128.88 2.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 457' ' ' LYS . 53.7 Cg_endo -69.78 -0.06 6.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 456' ' ' PRO . 29.6 pttt -34.4 125.39 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -139.26 111.62 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.23 107.85 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 10.8 m -74.24 117.68 16.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 2.3 t -112.33 145.0 40.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 2.0 m -112.99 86.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 540' ' ' ALA . 5.0 tppt? -132.14 116.21 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 482' ' ' PHE . 91.5 mt -89.44 107.54 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.527 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -102.76 104.12 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . 0.429 HG23 ' CG1' ' A' ' 469' ' ' ILE . 2.4 p -84.5 149.01 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -138.85 173.05 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.39 35.97 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 470' ' ' PRO . 44.4 mt -81.13 138.0 49.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.78 176.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.22 -57.37 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -48.33 -35.75 12.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -52.62 116.35 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -116.01 171.7 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -37.56 62.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -63.56 -42.57 98.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.76 -44.22 97.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 10.4 mm -71.1 -54.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -41.85 -53.53 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.26 -42.45 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 tp -45.57 -40.37 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.481 ' CE1' ' HG ' ' A' ' 524' ' ' LEU . 72.2 m-85 -94.43 -46.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 482' ' ' PHE . 23.0 t -37.24 -39.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 18.0 m -48.26 -50.37 29.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -64.1 -42.1 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.91 168.75 41.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.16 140.77 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 39.5 mt -103.77 152.36 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -87.33 -38.78 15.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.9 t -174.03 147.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.46 ' CG1' HD12 ' A' ' 493' ' ' LEU . 41.3 t -118.54 111.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -104.22 119.99 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.46 HD12 ' CG1' ' A' ' 491' ' ' VAL . 2.5 mp -140.96 143.96 33.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.16 5.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -97.61 132.89 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 497' ' ' MET . 0.0 OUTLIER -59.16 113.37 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.436 ' N ' ' HD2' ' A' ' 496' ' ' LYS . 6.1 ptm -114.42 -41.43 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 1.5 t -161.99 136.0 6.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 94.77 121.0 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 82.8 p -47.37 132.8 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 59.71 58.62 13.3 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.72 -43.48 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.75 114.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -77.25 146.68 36.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.07 62.95 2.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -160.43 170.9 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -174.5 145.57 8.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.7 m-85 -105.18 117.7 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . 0.451 HG22 ' CE2' ' A' ' 482' ' ' PHE . 40.0 t -113.62 130.85 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 148.41 38.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.482 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 12.6 m-85 -118.09 145.4 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 40.8 mm -56.34 -42.7 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 36.1 p -119.4 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -47.81 -50.03 27.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -43.45 -61.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 86.8 m-20 -41.87 -56.64 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.4 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.62 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -44.7 -63.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -49.81 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.611 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 85.2 t80 -34.85 -42.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.65 -61.19 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.75 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.481 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.0 mm? -50.46 -53.99 25.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.47 -35.02 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -43.79 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.8 p -170.84 105.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.0 m -123.41 98.22 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.87 121.11 35.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -130.52 116.54 18.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.457 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 80.3 m-85 62.33 32.01 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.05 31.18 66.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -137.72 126.33 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -75.33 124.2 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 58.5 mt -91.15 153.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 50.6 t -115.1 138.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.71 130.05 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -147.03 145.26 29.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.611 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 95.9 m95 -70.09 110.48 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 463' ' ' LYS . . . -55.72 158.17 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.17 138.5 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 78.2 p -100.84 122.01 42.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.67 107.63 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 544' ' ' VAL . 11.8 p -104.47 107.91 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 48.5 p -90.72 -18.85 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 26.8 m -84.06 143.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.7 136.65 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 36.5 p -49.25 141.84 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -163.58 71.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 95.8 p -60.52 120.25 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 35.9 t -127.61 131.38 49.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 93.4 p -145.9 156.64 43.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 57.7 p -163.38 174.87 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 159.07 156.56 8.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 91.4 p -172.01 127.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.3 p -135.77 162.35 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 121.34 76.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.563 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -113.84 96.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 456' ' ' PRO . 0.9 OUTLIER -94.75 137.47 22.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 455' ' ' VAL . 53.5 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 456' ' ' PRO . 18.1 tttt -34.34 118.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 460' ' ' THR . 32.7 mmtt -57.05 -66.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -51.12 86.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 458' ' ' LYS . 83.3 m -64.29 136.1 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.2 t -95.66 151.37 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 31.5 p -116.05 88.23 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -146.52 115.37 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.53 111.97 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.6 tp -101.42 107.32 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.3 p -90.55 111.43 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -101.06 163.46 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 42.4 t30 67.19 48.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 48.4 mt -85.99 128.36 58.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.74 33.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -41.93 -50.79 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -46.09 -47.88 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -53.55 142.04 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -132.03 162.95 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.94 -51.7 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.13 -44.51 79.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.33 -47.93 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.4 mm -66.7 -54.02 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -41.1 -53.97 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.51 -36.54 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.4 tp -51.1 -51.79 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.507 ' CE1' ' HG ' ' A' ' 524' ' ' LEU . 85.2 m-85 -84.65 -46.23 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 47.0 t -41.51 -33.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 29.0 m -54.19 -49.0 70.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.86 -43.47 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -168.06 172.38 42.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.17 138.19 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.494 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 85.7 mt -107.35 144.22 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -75.0 -44.1 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -172.98 149.87 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.446 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 24.8 t -119.7 123.07 70.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -115.52 121.66 43.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.446 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.4 mp -133.02 144.69 53.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.43 ' HG3' ' CE1' ' A' ' 506' ' ' PHE . 53.4 Cg_endo -69.78 124.86 11.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -124.48 127.07 46.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -82.11 159.11 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 498' ' ' THR . 14.6 mmt -84.72 120.43 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 497' ' ' MET . 68.8 p 36.14 45.9 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -95.31 163.75 24.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 14.7 t -81.75 40.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 74.08 47.1 19.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -120.95 82.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.407 ' ND1' ' C ' ' A' ' 503' ' ' HIS . 0.0 OUTLIER -105.96 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -74.98 153.24 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -90.47 62.55 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 494' ' ' PRO . 1.8 p90 -161.64 142.11 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.45 147.55 18.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 465' ' ' LEU . 14.4 m-85 -110.58 127.09 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 69.0 t -123.87 139.09 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.16 152.1 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.494 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 10.2 m-85 -121.9 148.09 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 46.3 mm -53.61 -44.08 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 37.2 p -131.55 176.05 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.86 -34.95 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.45 -61.81 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -61.62 -44.01 97.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.18 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -55.86 -54.9 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -48.32 -71.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -40.07 -66.13 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.8 t80 -43.89 -55.93 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -46.44 -34.04 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -82.01 -48.38 11.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.507 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.3 mm? -60.27 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 14.1 p -49.98 -45.92 52.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.455 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 20.9 t-80 -37.38 -56.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -174.5 105.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 90.2 m -125.21 120.67 31.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.41 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.9 m-70 -119.23 117.06 27.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 12.6 tp -125.0 121.26 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 58.41 32.45 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.84 31.99 57.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -138.35 124.88 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -78.29 104.71 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.04 147.61 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.23 118.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 4.7 mp -98.72 134.57 41.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.47 137.42 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -73.77 97.6 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.42 115.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.41 88.47 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 41.5 t -81.19 158.0 25.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.99 142.48 53.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.19 112.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 11.7 t -59.2 131.47 51.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.48 145.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 548' ' ' SER . 69.0 mt-30 -99.04 -51.57 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 547' ' ' GLN . 74.0 m 36.34 47.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 158.39 81.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.35 36.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.7 m 47.73 53.31 11.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 34.1 t -73.2 105.73 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.1 t -151.02 147.31 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 23.0 m -86.13 165.2 16.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -157.68 45.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.543 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 95.1 p -137.72 137.99 38.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 3.8 m -47.81 -61.31 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 59.74 45.68 95.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -115.64 108.32 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.74 150.21 70.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.09 3.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 458' ' ' LYS . 44.2 mtpt -85.21 -50.68 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 457' ' ' LYS . 0.1 OUTLIER 33.26 41.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -117.73 134.92 54.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 26.3 m -92.97 110.47 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 2.0 t -58.18 155.61 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.4 p -122.65 88.67 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -146.18 122.01 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . 0.514 HG23 ' CE2' ' A' ' 482' ' ' PHE . 66.8 mt -110.08 107.44 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.6 tp -105.23 113.94 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.83 132.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -120.99 166.33 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 21.0 t30 67.64 38.68 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 535' ' ' LEU . 67.0 mt -83.7 133.14 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.67 57.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -49.74 -35.87 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -58.46 -44.03 89.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -46.72 142.43 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 475' ' ' GLN . 94.0 m-20 -132.0 153.69 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 474' ' ' ASN . 36.1 tt0 -38.26 -46.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.83 -45.4 86.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 477' ' ' GLU . 0.1 OUTLIER -48.22 -51.75 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.44 -52.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -41.71 -64.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.31 -46.3 86.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . 0.404 ' O ' ' CG2' ' A' ' 484' ' ' THR . 20.2 tp -40.69 -42.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 524' ' ' LEU . 60.6 m-85 -92.34 -32.14 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.2 t -53.66 -26.44 22.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 481' ' ' LEU . 4.0 t -62.15 -32.7 73.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.538 ' CE1' ' CD2' ' A' ' 524' ' ' LEU . 74.3 m-85 -79.94 -40.98 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -169.48 -171.17 34.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -79.12 137.64 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.428 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 41.2 mt -106.12 143.59 34.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -75.26 -56.09 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.7 t -164.35 140.97 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.422 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 72.0 t -105.52 135.6 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -128.04 124.06 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.422 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.2 mp -136.89 148.83 64.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.58 6.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -109.08 133.11 53.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -50.47 137.48 19.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 14.9 ptm -118.75 157.81 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 68.3 p -56.6 122.02 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 111.77 -105.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 501' ' ' GLY . 59.5 m -127.85 148.83 50.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.185 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . 0.422 ' N ' HG21 ' A' ' 500' ' ' THR . . . 109.03 104.46 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -107.56 179.17 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.414 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 1.3 t-80 -58.66 110.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -78.64 162.68 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.3 61.65 4.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -157.0 133.23 9.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -142.63 141.52 10.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -104.6 136.12 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.27 122.38 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.66 147.11 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 7.2 m-85 -118.66 157.65 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.44 -50.72 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 75.1 p -123.25 173.36 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -75.32 -57.34 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -38.96 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -54.17 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.23 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -44.64 -61.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -48.63 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.421 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -39.64 -67.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 537' ' ' LEU . 13.1 t80 -45.39 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -42.38 -29.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 485' ' ' PHE . . . -88.17 -35.95 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.538 ' CD2' ' CE1' ' A' ' 485' ' ' PHE . 2.4 mm? -73.05 -55.47 6.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 521' ' ' PHE . 14.6 p -48.29 -31.58 6.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -50.28 -58.09 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.1 t -166.72 106.33 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.4 m -122.59 94.79 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -101.62 135.4 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.3 tp -147.19 127.08 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.562 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.0 m-85 52.39 31.07 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.75 19.61 70.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -130.49 122.99 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.499 ' CG ' ' CE1' ' A' ' 529' ' ' HIS . 1.2 tmt_? -83.12 104.54 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 45.4 mt -62.08 161.16 11.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.1 t -113.59 130.68 67.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 2.6 mm? -98.78 117.74 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -138.64 134.17 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -76.24 149.58 37.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -120.55 113.0 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.49 142.82 26.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 42.0 m -92.71 124.37 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.7 133.39 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.8 m -62.61 123.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 81.2 m -77.54 130.88 37.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.13 112.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -104.35 112.96 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 66.1 m -53.17 139.9 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 86.35 -163.4 35.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 p -86.46 10.57 14.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 13.6 t -160.79 119.56 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 174.21 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 17.1 m -136.78 167.16 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 135.61 92.6 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 78.9 p -121.01 150.21 41.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.7 t -76.21 94.57 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -83.57 -145.12 6.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -118.66 134.31 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.45 ' CG2' ' HD2' ' A' ' 456' ' ' PRO . 6.2 p -96.02 137.91 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 455' ' ' VAL . 53.6 Cg_endo -69.77 175.69 7.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 458' ' ' LYS . 9.2 ptpt -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 457' ' ' LYS . 26.1 mtpp -34.45 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.09 134.36 53.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 461' ' ' THR . 89.1 m -71.47 138.35 48.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' THR . . . . . 0.424 ' N ' HG21 ' A' ' 460' ' ' THR . 3.7 m -56.62 121.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.5 m -116.41 94.54 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 47.2 mt -102.58 111.09 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.8 tp -108.97 100.13 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.75 124.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -111.53 171.1 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 28.8 t30 62.82 35.94 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.35 130.19 82.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.6 57.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.96 -13.32 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -86.78 -11.48 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -97.12 123.69 40.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.79 171.23 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -47.37 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -53.76 -49.96 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.76 -53.94 40.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.98 -47.77 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -46.38 -56.87 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.2 tp -52.61 -40.21 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -95.75 -45.53 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 486' ' ' GLY . 35.2 t -39.64 -51.08 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 61.7 m -38.27 -41.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.432 ' CG ' ' HB2' ' A' ' 520' ' ' ALA . 22.8 m-85 -69.59 -39.02 77.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 483' ' ' SER . . . 179.82 179.15 48.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.64 137.24 57.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 18.8 mt -105.26 157.51 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.42 ' HG3' ' C ' ' A' ' 511' ' ' PHE . 21.5 mttm -86.69 -51.24 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 134.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.0 t -98.0 111.89 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -108.64 119.41 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.9 mp -131.2 145.02 55.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.726 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 54.0 Cg_endo -69.8 135.67 30.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -123.41 128.47 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.88 158.55 27.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -99.91 -54.9 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 38.0 p -39.36 -50.37 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -152.5 -106.63 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.7 t -168.66 137.56 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 115.04 -37.82 3.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -91.89 64.73 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.0 OUTLIER -92.78 -175.36 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.51 141.29 28.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.04 68.29 1.68 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -164.28 137.84 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.85 134.78 6.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -100.6 115.94 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.38 139.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.95 147.14 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 12.3 m-85 -118.49 149.25 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 489' ' ' LYS . 33.9 mm -60.87 -42.76 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 1.6 p -118.83 178.61 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -86.95 -38.72 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -50.56 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.1 -41.94 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -57.02 -55.52 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.51 -55.86 28.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -48.11 -58.34 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' A' ' 485' ' ' PHE . . . -60.83 -34.79 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.626 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 91.3 t80 -59.36 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.445 ' OD1' ' NE2' ' A' ' 526' ' ' HIS . 2.0 p30 -68.6 -45.06 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.91 -55.69 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 525' ' ' CYS . 17.9 mt -73.12 -52.84 12.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -36.3 -47.95 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 522' ' ' ASN . 11.6 m-70 -41.49 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 62.5 m -146.45 106.13 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 38.6 m -122.99 96.29 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -98.33 117.75 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.7 tp -132.37 114.86 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.485 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 70.7 m-85 57.4 46.28 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 61.43 22.06 60.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -135.08 125.89 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -76.33 147.35 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.0 mt -110.17 135.05 51.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.28 109.81 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.97 121.25 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -136.59 156.36 48.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.626 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 89.4 m95 -82.47 142.63 31.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -120.95 143.67 48.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.46 146.54 26.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 15.1 m -81.82 147.05 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -94.21 124.75 38.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.61 114.64 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 45.5 m -105.14 105.56 15.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.35 148.83 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -109.41 117.81 35.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.4 m -123.17 177.2 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -173.61 168.52 41.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.24 50.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.29 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.2 t -104.12 -49.04 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 39.1 t 58.69 41.41 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.434 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.9 m -154.27 138.8 16.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 53.5 p -156.96 177.63 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 131.69 91.12 0.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 58.1 p -112.55 112.6 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 25.6 p -173.55 117.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -92.64 73.0 1.43 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -118.73 71.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 12.4 p -166.16 129.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 125.33 12.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . 0.462 ' HE3' ' N ' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -49.67 -49.15 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 542' ' ' SER . 7.2 ttpt 46.92 53.42 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 460' ' ' THR . 89.5 mm-40 57.34 48.12 15.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 459' ' ' GLN . 1.3 m 34.54 51.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.8 t -44.85 168.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 1.8 m -132.66 93.32 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -142.59 127.01 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -107.87 115.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.03 106.39 14.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 5.0 p -89.23 124.56 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -115.06 172.34 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 505' ' ' GLY . 15.8 t30 59.72 43.5 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . . . . . . . . . 7.9 mt -82.94 132.66 50.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.76 63.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -55.61 -41.24 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.81 -39.21 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.08 141.71 58.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.41 166.15 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -44.03 -52.72 6.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.88 -49.04 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -52.56 -45.55 66.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.63 -47.3 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -52.11 -53.41 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.54 -33.02 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.28 -44.31 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.447 ' CE1' HD23 ' A' ' 524' ' ' LEU . 74.5 m-85 -91.25 -37.12 13.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 15.7 t -53.74 -35.24 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 5.5 t -58.14 -16.1 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.48 ' CE2' HD12 ' A' ' 524' ' ' LEU . 53.1 m-85 -97.8 -42.88 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -163.38 -177.45 36.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . 0.411 ' HB3' ' CG1' ' A' ' 512' ' ' ILE . 4.6 tp10 -70.39 134.95 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 38.0 mt -103.75 147.19 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -89.27 -47.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.7 t -174.13 138.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 36.6 t -112.71 132.86 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -121.71 120.67 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.474 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.0 mp -140.83 144.1 34.4 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.35 39.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -106.73 135.14 48.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -78.33 109.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 47.2 tpp -113.88 -55.79 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 17.3 p -71.17 -48.25 52.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 116.52 -156.99 15.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 46.0 p 47.73 43.24 16.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 68.33 77.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.72 -49.4 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.435 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 2.1 t-80 -56.56 101.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 506' ' ' PHE . 4.6 tpt180 -62.97 150.4 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -77.79 50.38 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -148.16 145.16 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -148.82 141.7 9.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -99.14 127.68 45.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 59.8 t -127.75 116.23 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 22.6 t0 -105.95 149.16 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 6.9 m-85 -117.83 158.84 24.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 487' ' ' GLU . 47.1 mm -69.15 -41.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 71.1 p -119.25 177.7 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -87.42 -55.69 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -41.05 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -75.7 -66.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -40.0 -40.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -40.48 -51.38 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.99 -45.5 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.58 -51.24 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.48 HD12 ' CE2' ' A' ' 485' ' ' PHE . 10.7 mp -79.99 -53.92 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 524' ' ' LEU . 39.4 t -36.13 -56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 525' ' ' CYS . 70.8 t60 -35.99 -58.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.1 t -163.92 106.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 86.1 m -126.14 111.91 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.5 117.77 32.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.4 tp -123.94 130.33 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.7 m-85 44.13 36.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.66 31.19 65.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -89.02 110.01 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.34 141.07 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.27 116.09 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.84 132.6 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 538' ' ' GLU . 3.3 mp0 -143.11 167.68 21.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.92 96.27 7.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -55.67 136.56 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -108.66 79.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' SER . . . . . 0.44 ' O ' ' NZ ' ' A' ' 458' ' ' LYS . 30.4 t -99.6 139.04 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.94 164.13 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 545' ' ' THR . 14.0 p -115.94 143.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' THR . . . . . 0.401 ' N ' HG21 ' A' ' 544' ' ' VAL . 46.5 p -69.9 120.9 16.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.74 163.62 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -169.14 128.01 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.2 t -80.98 163.56 23.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 158.91 83.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.71 67.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -85.27 151.35 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.5 t -146.34 123.78 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 48.9 m -136.74 169.88 17.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 4.4 m -103.06 151.03 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -123.42 176.03 16.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 69.6 m -100.72 132.46 46.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.9 m -47.68 -49.82 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 113.98 127.82 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.27 148.42 47.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 456' ' ' PRO . 3.4 t -89.81 136.27 29.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 455' ' ' VAL . 53.8 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -141.66 152.21 43.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -112.4 102.3 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -133.97 124.9 27.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 10.2 p -117.35 113.12 21.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 t -87.61 152.48 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.2 m -127.36 89.15 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -141.29 105.09 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 51.0 mt -95.52 109.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.1 tp -104.08 99.13 8.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 3.1 p -86.17 121.25 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -110.95 172.59 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.96 42.11 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ILE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 535' ' ' LEU . 41.8 mt -88.64 136.23 31.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.637 0.732 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.75 142.55 48.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -46.13 -42.26 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.99 -42.41 68.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . 0.451 ' CB ' ' CG2' ' A' ' 469' ' ' ILE . . . -48.21 128.88 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -127.09 162.31 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -67.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -42.99 -33.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -63.62 -54.62 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 22.5 mm -68.3 -37.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 483' ' ' SER . 0.0 OUTLIER -51.89 -58.6 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.47 -30.31 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 20.5 tp -56.47 -43.31 79.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' PHE . . . . . 0.553 ' CE1' ' CD2' ' A' ' 524' ' ' LEU . 53.8 m-85 -93.77 -45.6 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' SER . . . . . 0.417 ' HB2' ' NH1' ' A' ' 479' ' ' ARG . 10.6 t -44.34 -36.71 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' THR . . . . . 0.472 HG22 ' CD1' ' A' ' 485' ' ' PHE . 9.1 t -44.48 -43.36 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . 0.472 ' CD1' HG22 ' A' ' 484' ' ' THR . 65.9 m-85 -67.86 -35.77 79.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 174.75 -179.26 46.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.46 142.79 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.427 HD22 ' CZ ' ' A' ' 511' ' ' PHE . 78.1 mt -107.33 157.52 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -87.5 -45.98 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.2 t -169.95 133.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.2 t -103.99 105.07 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -104.03 131.04 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.0 mp -139.01 143.79 38.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.9 Cg_endo -69.76 116.35 4.52 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -122.58 104.16 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.432 ' HG2' ' CB ' ' A' ' 502' ' ' ALA . 6.2 tppt? -91.86 115.16 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 27.8 mtt -72.04 -49.36 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 38.5 p -95.82 109.99 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 500' ' ' THR . . . 138.29 45.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 499' ' ' GLY . 40.8 p 37.91 41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 73.15 72.62 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.432 ' CB ' ' HG2' ' A' ' 496' ' ' LYS . . . -91.69 80.73 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.7 t-80 -94.08 109.41 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.66 149.48 48.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -75.91 66.57 2.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . 0.439 ' CE1' ' HB3' ' A' ' 494' ' ' PRO . 3.5 p90 -162.38 134.9 5.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.903 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -141.56 144.09 13.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.15 119.49 39.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . 0.529 HG21 ' CE2' ' A' ' 482' ' ' PHE . 68.5 t -121.76 125.99 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.69 149.02 41.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 488' ' ' LEU . 13.0 m-85 -115.7 172.46 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 38.6 mm -83.39 -44.49 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 73.0 p -119.17 142.23 48.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -48.92 -60.54 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -39.47 -57.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.31 -40.74 26.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.65 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.41 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 15.3 ptpt -66.93 -38.39 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -72.71 -32.67 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' PHE . . . . . 0.486 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 14.8 t80 -71.85 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 522' ' ' ASN . 0.2 OUTLIER -58.27 -38.06 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.27 61.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.553 ' CD2' ' CE1' ' A' ' 482' ' ' PHE . 10.8 mp -68.5 -59.34 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 1.2 p -40.08 -41.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' HIS . . . . . 0.43 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 6.6 m170 -46.69 -50.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 57.2 p -172.46 106.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' THR . . . . . 0.407 HG21 ' CD1' ' A' ' 535' ' ' LEU . 14.5 m -124.95 109.19 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.37 122.45 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 9.0 tp -132.16 127.21 35.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . 0.509 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 79.6 m-85 53.08 28.81 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.63 37.66 39.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -132.74 151.39 52.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -100.21 100.32 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 45.2 mt -75.47 137.52 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.94 128.22 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.97 117.4 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -140.41 137.01 33.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' TRP . . . . . 0.486 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 77.8 m95 -67.67 107.97 2.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -46.5 126.84 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -107.91 112.79 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 29.1 t -73.46 140.47 46.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -91.13 148.37 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.47 127.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 76.3 p -44.77 156.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 85.9 t -129.62 104.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -152.82 131.21 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.1 t -63.94 145.37 55.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.18 30.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.48 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 46.6 m -95.99 174.52 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 32.1 t -80.22 140.03 36.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.899 0.38 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -144.2 112.39 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 511' ' ' PHE . 96.5 mt -95.67 109.51 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 507' ' ' GLY . 15.2 tp -105.11 103.82 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -85.35 120.0 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -111.67 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.8 t30 60.43 41.84 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 470' ' ' PRO . 75.1 mt -84.5 138.6 38.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.4 Cg_endo -69.72 150.55 68.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.24 -11.68 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -86.73 -25.21 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -69.17 141.6 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -132.4 170.33 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 493' ' ' LEU . 1.1 tm0? -44.59 -61.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -51.97 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.23 -56.81 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 479' ' ' ARG . 37.3 mm -68.23 -47.78 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.938 ' HA ' HG21 ' A' ' 491' ' ' VAL . 0.2 OUTLIER -37.84 -64.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.55 -48.16 70.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.5 tp -37.78 -38.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.733 ' CE2' HD12 ' A' ' 524' ' ' LEU . 31.9 m-85 -98.57 -42.41 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.492 ' N ' HD11 ' A' ' 488' ' ' LEU . 7.5 t -46.43 -44.73 17.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 6.0 t -45.24 -33.35 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.23 -34.98 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 179.32 173.41 44.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' GLU . . . . . 0.42 ' HG3' HD11 ' A' ' 512' ' ' ILE . 19.3 tp10 -62.01 131.79 50.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 483' ' ' SER . 75.0 mt -105.82 128.27 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.531 ' HG2' HD13 ' A' ' 512' ' ' ILE . 36.2 mmtt -55.37 -52.5 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.9 t -169.41 129.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.938 HG21 ' HA ' ' A' ' 479' ' ' ARG . 20.2 t -100.8 110.54 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -102.96 131.89 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -104.13 61.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -158.41 136.5 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.39 144.85 14.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -107.95 127.39 53.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 33.7 t -127.24 122.28 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 489' ' ' LYS . 39.7 t0 -111.18 137.48 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 12.8 m-85 -105.8 163.97 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.5 mm -69.13 -44.45 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 65.9 p -129.58 160.72 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -57.56 -45.83 84.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.56 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -45.19 -34.86 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -73.5 -36.21 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.61 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 16.4 ptmt -61.15 -41.28 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.06 -54.14 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -44.87 -51.28 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -73.01 -45.09 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -45.68 -35.79 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.733 HD12 ' CE2' ' A' ' 482' ' ' PHE . 94.3 mt -99.42 -53.12 3.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 524' ' ' LEU . 41.4 t -35.15 -52.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 525' ' ' CYS . 13.5 t-160 -35.34 -61.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 63.9 p -166.2 106.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 37.4 m -125.61 114.58 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 0.3 OUTLIER -110.49 120.6 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.2 tp -129.63 118.05 21.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.486 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 69.6 m-85 61.57 31.76 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.43 57.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -134.56 135.26 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.546 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.1 tmm_? -86.95 99.19 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 93.8 mt -60.19 150.58 29.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.6 t -118.17 106.71 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -88.38 126.69 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -144.73 147.64 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -133.76 118.09 17.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 511' ' ' PHE . 75.0 mt -110.22 108.13 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.42 108.22 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.928 HG13 HD11 ' A' ' 469' ' ' ILE . 7.2 p -92.03 129.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -117.85 170.51 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 505' ' ' GLY . 22.7 t30 63.73 44.22 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.928 HD11 HG13 ' A' ' 466' ' ' VAL . 85.9 mt -87.13 138.42 32.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.734 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.71 143.52 51.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.686 2.258 . . . . 0.0 112.394 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.34 -38.48 63.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -58.32 -43.95 88.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -57.53 138.75 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -131.77 177.56 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 493' ' ' LEU . 27.3 tt0 -45.57 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -41.67 -43.92 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.427 ' OE2' HD13 ' A' ' 481' ' ' LEU . 5.3 tm-20 -55.05 -58.75 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 35.9 mm -56.88 -44.01 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 491' ' ' VAL . 7.9 mtp85 -48.82 -70.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.61 -36.34 71.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 484' ' ' THR . 19.7 tp -47.12 -54.83 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 524' ' ' LEU . 54.8 m-85 -86.24 -49.36 7.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 482' ' ' PHE . 44.3 t -36.75 -40.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 481' ' ' LEU . 6.7 t -45.55 -48.44 14.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.52 ' N ' HG23 ' A' ' 484' ' ' THR . 36.6 m-85 -64.72 -43.33 93.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.32 172.47 44.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -59.59 139.93 56.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 482' ' ' PHE . 59.8 mt -107.18 152.38 24.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.429 ' CG ' HD13 ' A' ' 512' ' ' ILE . 23.5 mttm -81.92 -46.41 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.5 t -174.86 136.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 493' ' ' LEU . 70.4 t -105.68 112.31 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -103.06 120.7 41.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.678 ' CD1' HG12 ' A' ' 491' ' ' VAL . 4.4 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 505' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -88.77 60.37 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.631 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -151.14 138.24 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -151.54 139.96 7.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -99.89 132.12 45.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.8 126.66 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -111.0 145.53 38.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 464' ' ' ILE . 10.4 m-85 -115.16 156.79 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.429 HD13 ' CG ' ' A' ' 489' ' ' LYS . 32.8 mm -65.79 -46.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 25.2 p -127.82 147.17 50.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.4 mtmm -51.36 -53.86 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 514' ' ' LYS . 77.3 mm-40 -35.1 -64.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -49.11 -49.35 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 521' ' ' PHE . . . -53.02 -39.88 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.6 -57.12 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -49.92 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -56.68 -58.26 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.581 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 25.6 t80 -38.26 -58.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -66.04 -38.97 89.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -53.6 -54.11 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 31.9 mt -79.3 -53.33 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 17.8 t -37.83 -40.72 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -54.08 -54.15 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 93.4 p -159.32 107.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.83 114.78 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -118.76 119.24 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -135.09 126.6 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 84.0 m-85 51.64 38.24 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.22 35.28 82.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -136.49 152.81 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -104.68 102.14 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.1 mt -69.66 147.56 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 65.8 t -115.34 107.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.34 122.66 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -137.9 160.78 38.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.581 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 92.0 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.946 0.403 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -145.84 143.79 29.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.483 HD12 ' CE1' ' A' ' 511' ' ' PHE . 70.1 mt -123.41 110.24 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -99.39 105.0 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 1.053 HG13 HD11 ' A' ' 469' ' ' ILE . 3.5 p -86.9 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -120.18 164.09 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 505' ' ' GLY . 28.0 t30 67.89 41.28 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 1.053 HD11 HG13 ' A' ' 466' ' ' VAL . 54.1 mt -86.35 132.95 41.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.77 137.34 35.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -44.92 -25.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.01 -48.73 64.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -47.59 125.21 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -113.21 160.69 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -44.74 -34.45 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -49.87 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -48.81 -48.29 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.432 HG13 HD21 ' A' ' 493' ' ' LEU . 11.8 mm -65.63 -52.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.454 ' HG3' ' CG2' ' A' ' 491' ' ' VAL . 24.5 ttp180 -43.28 -58.11 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.26 -43.29 86.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 tp -45.23 -45.96 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.9 m-85 -87.52 -41.9 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 486' ' ' GLY . 14.0 t -44.67 -44.94 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 97.2 m -39.71 -36.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 63.7 m-85 -77.25 -41.49 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 486' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -176.67 170.68 43.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.07 139.03 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 40.0 mt -107.75 154.23 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.735 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.4 OUTLIER -77.67 -52.31 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.0 t -174.51 140.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 493' ' ' LEU . 21.3 t -104.63 128.44 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -118.14 107.53 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.552 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 505' ' ' GLY . 42.8 ttt85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 504' ' ' ARG . . . -81.69 40.99 2.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.89 143.44 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -145.52 149.88 22.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 465' ' ' LEU . 4.5 m-85 -108.57 129.35 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.59 121.51 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 62.5 t0 -105.95 144.07 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -113.91 163.43 15.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.735 HD13 ' HG2' ' A' ' 489' ' ' LYS . 49.4 mm -70.92 -38.57 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 69.1 p -132.77 -174.99 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -85.21 -44.41 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 515' ' ' GLN . 0.5 OUTLIER -44.94 -67.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 516' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 516' ' ' ASP . 0.4 OUTLIER -44.23 -50.72 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.52 -56.97 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -52.93 -65.07 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -40.2 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 523' ' ' ALA . . . -45.73 -58.85 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.411 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 43.2 t80 -40.32 -46.17 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -78.19 -29.72 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.549 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -72.03 -25.8 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 525' ' ' CYS . 97.0 mt -102.22 -57.13 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 36.4 t -37.08 -52.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 527' ' ' SER . 8.2 p-80 -35.97 -50.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 526' ' ' HIS . 3.0 m -173.84 109.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.3 m -124.48 128.88 49.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -123.49 129.58 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -142.69 114.54 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 73.8 m-85 63.24 40.65 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.79 17.01 70.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -124.38 164.47 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -105.9 149.19 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.89 129.68 55.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.414 HG12 ' HG3' ' A' ' 538' ' ' GLU . 83.9 t -88.48 127.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.9 mm? -99.21 116.71 32.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 536' ' ' VAL . 93.9 mt-10 -138.07 164.35 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.411 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 75.4 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.912 0.386 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -139.87 120.31 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 482' ' ' PHE . 65.2 mt -93.14 119.19 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.4 tp -110.32 102.49 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 469' ' ' ILE . 5.9 p -86.58 112.93 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -106.22 166.18 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.08 45.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 466' ' ' VAL . 10.3 mt -88.43 136.1 31.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.66 -51.73 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -49.36 -24.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.52 135.89 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -130.67 165.36 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.702 ' HA ' HD22 ' A' ' 493' ' ' LEU . 33.7 tt0 -48.07 -47.31 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -60.23 -40.11 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.42 -47.42 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.26 -47.09 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 483' ' ' SER . 30.6 ttt180 -47.79 -49.64 28.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.2 -35.71 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.51 -46.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 509' ' ' VAL . 77.6 m-85 -89.98 -50.17 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 29.4 t -36.92 -40.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 88.3 m -46.05 -50.09 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 35.5 m-85 -60.98 -36.83 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.66 46.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.22 138.22 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 71.5 mt -104.25 158.97 16.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.589 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.9 mttt -91.31 -47.23 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -167.57 141.36 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 38.3 t -114.34 108.42 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -98.69 120.53 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 475' ' ' GLN . 2.5 mp . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.96 40.94 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.61 150.3 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -154.87 144.5 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.589 ' CE1' HD13 ' A' ' 465' ' ' LEU . 8.2 m-85 -104.21 128.94 51.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 482' ' ' PHE . 25.7 t -126.87 127.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.18 147.21 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.2 m-85 -114.21 155.52 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.589 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.4 mm -61.56 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 22.0 p -125.57 132.66 52.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 515' ' ' GLN . 7.3 mtpm? -39.57 -54.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 514' ' ' LYS . 45.8 mm-40 -34.76 -59.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 40.2 m-20 -51.31 -52.22 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -53.53 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -57.75 -66.15 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -44.2 -68.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -44.99 -64.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.657 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 15.0 t80 -35.78 -51.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.29 -52.0 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.78 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.9 mp -69.11 -57.65 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 524' ' ' LEU . 4.2 t -35.99 -32.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 524' ' ' LEU . 10.6 t-160 -57.86 -49.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 527' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 524' ' ' LEU . 3.6 m -170.19 109.4 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 528' ' ' THR . . . . . 0.473 HG22 HD12 ' A' ' 535' ' ' LEU . 7.3 m -124.4 111.01 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 1.4 m80 -115.68 125.61 53.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.5 tp -137.45 118.22 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.479 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 60.09 26.71 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.02 38.92 21.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -144.46 116.26 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.0 OUTLIER -68.98 103.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 528' ' ' THR . 43.4 mt -70.9 147.93 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.87 138.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.44 114.74 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -128.63 149.41 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.657 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 97.0 m95 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 0.9 OUTLIER -146.72 113.03 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 482' ' ' PHE . 11.7 mt -93.66 107.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.2 tp -102.87 104.18 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 469' ' ' ILE . 1.1 p -90.84 129.76 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -114.87 175.74 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.8 t30 61.46 40.71 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.604 HG22 ' HB3' ' A' ' 473' ' ' ALA . 43.4 mt -87.1 134.89 35.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.73 146.95 61.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -53.95 -26.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -67.47 -38.62 84.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -54.49 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -129.02 157.05 42.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.425 ' HA ' HD13 ' A' ' 493' ' ' LEU . 38.6 tt0 -39.23 -40.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -46.17 74.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.87 -51.04 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.53 -48.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 491' ' ' VAL . 14.4 ttt180 -47.69 -50.03 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -31.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.7 -39.93 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 464' ' ' ILE . 52.2 m-85 -96.81 -47.08 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 19.8 m -43.48 -43.49 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 485' ' ' PHE . 15.2 t -43.54 -37.56 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.664 ' CE1' HD11 ' A' ' 524' ' ' LEU . 46.9 m-85 -73.06 -39.45 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.69 -176.33 41.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.23 135.16 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 57.7 mt -104.36 156.72 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.7 mtpt -90.58 -48.8 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.8 t -173.03 131.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 479' ' ' ARG . 25.2 t -100.24 127.32 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 492' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 492' ' ' ARG . 4.6 mmm180 -118.21 129.57 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.3 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.868 0.366 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -91.23 56.35 3.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.607 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -161.2 142.4 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -150.03 144.97 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.477 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 64.0 m-85 -106.5 132.03 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 89.1 t -127.26 124.72 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.62 140.14 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 9.6 m-85 -112.2 144.46 41.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.5 mm -48.77 -51.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 58.3 p -122.76 168.36 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 515' ' ' GLN . 50.8 mttp -68.09 -58.69 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 514' ' ' LYS . 33.0 mt-30 -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -51.83 -47.18 64.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.0 -60.71 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -52.24 -46.19 65.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -51.65 -58.55 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -67.3 -62.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.658 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 4.9 t80 -38.36 -40.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -74.24 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.81 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.5 mp -68.21 -56.92 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -38.23 -39.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -50.47 -52.67 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.8 m -170.83 105.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m -123.49 128.56 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.64 138.27 54.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.4 tp -146.26 116.17 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 87.3 m-85 58.59 32.39 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.57 20.6 76.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -123.85 126.76 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -77.03 107.79 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.07 144.92 42.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.22 117.33 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.2 mp -97.69 118.91 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -138.17 139.83 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.658 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 96.1 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -146.39 125.49 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 93.2 mt -108.08 118.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.7 tp -109.77 103.31 12.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 469' ' ' ILE . 1.7 p -86.34 123.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -111.91 174.62 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 27.6 t30 64.33 32.45 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.764 HD11 HG13 ' A' ' 466' ' ' VAL . 59.3 mt -78.82 132.53 64.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.751 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.71 178.64 4.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -72.03 -53.7 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -46.62 -46.96 20.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -39.13 124.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.22 169.58 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 493' ' ' LEU . 24.8 tt0 -47.23 -44.59 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -61.39 -47.17 87.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -49.56 -55.94 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.37 -40.82 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.57 ' HD2' HG21 ' A' ' 491' ' ' VAL . 2.3 tpt180 -43.61 -66.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 481' ' ' LEU . 32.7 mm-40 -65.48 -44.71 86.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 480' ' ' GLU . 14.7 tp -36.49 -44.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 509' ' ' VAL . 73.8 m-85 -96.54 -49.11 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 482' ' ' PHE . 8.1 t -37.79 -40.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 96.9 m -50.52 -47.3 57.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.427 ' CB ' ' HB2' ' A' ' 520' ' ' ALA . 28.2 m-85 -64.26 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 486' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 516' ' ' ASP . . . -175.29 177.37 47.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.52 141.06 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 78.0 mt -107.43 158.94 16.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.71 ' CG ' HD13 ' A' ' 512' ' ' ILE . 5.0 mtmp? -98.39 -40.48 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 3.9 t -167.75 134.53 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.57 HG21 ' HD2' ' A' ' 479' ' ' ARG . 12.7 t -111.46 106.34 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -103.43 130.21 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.495 ' HB3' ' CD1' ' A' ' 506' ' ' PHE . 31.6 ttm180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.96 69.8 3.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 504' ' ' ARG . 1.7 p90 -163.93 128.83 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -136.68 145.64 17.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.62 117.33 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.515 HG21 ' CE2' ' A' ' 482' ' ' PHE . 57.0 t -120.12 123.69 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -109.66 140.7 43.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -110.53 157.51 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.71 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.9 mm -66.41 -34.23 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 21.0 p -138.69 165.23 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -71.65 -45.43 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.57 -61.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' ASP . . . . . 0.426 ' CG ' ' HA3' ' A' ' 486' ' ' GLY . 3.2 t70 -56.39 -40.93 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.94 -48.12 79.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.48 -60.57 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -39.79 -62.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 485' ' ' PHE . . . -59.73 -45.95 90.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.574 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 67.2 t80 -48.41 -55.82 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.62 -50.48 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.46 -56.32 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 525' ' ' CYS . 85.8 mt -73.46 -48.86 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 4.8 t -38.0 -48.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 525' ' ' CYS . 21.5 t-80 -35.91 -62.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 m -167.68 116.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 2.3 m -126.35 105.47 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.47 117.81 32.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.3 tp -130.36 114.88 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.499 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 60.5 m-85 61.51 32.86 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.09 37.31 38.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -144.87 137.27 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -92.04 105.51 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.9 mt -68.94 161.62 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.8 110.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.19 120.2 32.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -141.45 147.47 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.574 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 79.2 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -146.62 113.26 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 511' ' ' PHE . 79.5 mt -108.83 120.46 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -113.05 114.04 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -95.19 130.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -120.67 168.0 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 14.2 t30 66.18 41.55 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 466' ' ' VAL . 43.4 mt -86.37 137.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.1 Cg_endo -69.71 163.53 37.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.22 . . . . 0.0 112.384 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.27 -43.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.09 -33.82 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -74.5 135.94 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -131.36 174.75 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.429 ' HA ' HD13 ' A' ' 493' ' ' LEU . 35.5 tt0 -44.22 -48.81 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -46.32 -46.65 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.548 HG13 HD21 ' A' ' 493' ' ' LEU . 50.1 mm -63.88 -54.0 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -43.71 -54.21 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.15 -39.93 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.3 tp -48.19 -52.84 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 488' ' ' LEU . 67.8 m-85 -82.45 -48.12 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 482' ' ' PHE . 40.4 t -37.25 -35.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 60.3 m -56.3 -46.75 79.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.485 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 54.2 m-85 -67.54 -31.88 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 177.71 166.74 34.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.84 137.6 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 482' ' ' PHE . 48.9 mt -106.31 158.43 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 512' ' ' ILE . 51.3 mttm -88.06 -44.39 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.8 t -174.0 148.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 97.5 t -120.54 122.82 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -116.48 111.92 20.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.1 73.43 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -163.73 132.63 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.899 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.53 139.89 8.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 465' ' ' LEU . 44.9 m-85 -102.12 133.63 46.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 61.2 t -127.07 138.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.37 142.85 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.57 ' HE2' HD12 ' A' ' 464' ' ' ILE . 13.7 m-85 -113.04 156.33 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.5 mm -68.96 -43.46 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.0 p -120.42 173.78 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -34.03 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -59.42 -46.39 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -46.39 78.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.73 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -56.41 -51.69 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -48.47 -54.46 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.546 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 17.8 t80 -57.78 -58.47 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.15 -48.31 76.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -48.13 -56.78 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 525' ' ' CYS . 92.3 mt -72.36 -56.63 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 524' ' ' LEU . 26.4 t -34.28 -53.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -37.65 -65.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.0 t -152.71 109.35 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.48 120.11 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -117.57 128.95 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.8 tp -143.01 112.4 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.0 m-85 63.06 35.64 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.23 67.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.15 140.22 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -85.98 147.87 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 19.9 mt -111.33 132.62 54.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.19 111.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.0 mp -98.36 118.57 35.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -138.56 146.15 41.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.546 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 89.1 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -145.92 131.42 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.818 HD12 ' CE1' ' A' ' 511' ' ' PHE . 59.3 mt -110.12 109.12 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -103.61 109.17 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.965 HG13 HD11 ' A' ' 469' ' ' ILE . 3.2 p -94.47 136.52 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -121.31 166.34 14.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 50.7 t30 70.39 32.36 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.965 HD11 HG13 ' A' ' 466' ' ' VAL . 62.7 mt -75.65 129.92 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.68 43.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 0.0 112.368 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -44.98 -32.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.74 -43.18 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.64 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -56.46 130.66 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -129.07 170.7 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.696 ' N ' HD22 ' A' ' 493' ' ' LEU . 25.5 mt-30 -40.09 -51.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 477' ' ' GLU . 34.3 ttt180 -52.27 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 476' ' ' ARG . 1.0 OUTLIER -34.71 -52.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 31.5 mm -61.7 -50.38 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.464 ' HG3' HG21 ' A' ' 491' ' ' VAL . 42.1 ttt180 -48.24 -57.68 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.69 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.2 tp -48.28 -53.95 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 524' ' ' LEU . 81.4 m-85 -86.39 -49.87 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 45.7 t -38.51 -34.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 56.8 m -52.99 -46.83 68.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -64.43 -40.79 96.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -173.32 177.4 45.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.81 141.8 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.374 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 61.8 mt -106.69 159.26 16.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.992 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.4 mmtt -93.86 -45.23 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.0 t -169.71 139.58 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.0 t -108.27 107.32 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -101.85 125.17 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 475' ' ' GLN . 4.1 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.28 63.18 3.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 1.0 OUTLIER -159.47 151.09 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -147.2 147.8 18.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.822 ' CE1' HD13 ' A' ' 465' ' ' LEU . 7.5 m-85 -113.21 123.06 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 67.6 t -123.57 118.57 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -99.21 145.56 27.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.818 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.8 m-85 -115.24 160.01 20.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.992 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.5 mm -70.05 -37.8 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 76.2 p -137.71 -176.16 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -85.01 -39.16 18.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -46.43 -65.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.45 -44.76 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -46.95 -61.42 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -60.01 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -38.15 -55.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.08 -59.68 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.684 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 7.0 t80 -36.8 -56.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -65.34 -45.72 83.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.44 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 482' ' ' PHE . 81.6 mt -83.52 -55.68 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 6.8 t -34.67 -47.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -41.73 -64.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 t -160.72 105.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.1 m -122.9 124.02 42.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -120.23 131.34 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 9.6 tp -140.67 131.04 25.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 46.11 28.14 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.9 29.4 42.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -137.01 135.88 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -86.98 110.88 20.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 65.2 mt -74.32 148.97 40.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.11 131.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.7 mm? -100.96 115.18 29.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.68 136.4 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.684 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 82.3 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -143.24 112.21 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 511' ' ' PHE . 40.8 mt -89.34 117.89 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 507' ' ' GLY . 12.3 tp -112.2 100.98 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 469' ' ' ILE . 6.3 p -83.92 124.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -116.29 171.42 7.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.03 35.27 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 466' ' ' VAL . 75.5 mt -75.28 138.06 71.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.75 165.9 29.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -68.91 -37.04 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.91 -42.02 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -55.23 135.45 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.02 176.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -55.07 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -50.41 -44.44 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.93 -58.98 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 493' ' ' LEU . 33.9 mm -53.62 -43.83 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.458 ' O ' ' CD1' ' A' ' 488' ' ' LEU . 23.7 ttp180 -52.28 -65.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.49 -30.96 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 30.4 tp -53.31 -48.96 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 45.6 m-85 -85.27 -34.05 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 488' ' ' LEU . 4.0 p -51.05 -37.51 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 87.4 m -51.94 -23.62 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 524' ' ' LEU . 83.3 m-85 -89.78 -42.37 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.41 40.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.38 133.1 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 482' ' ' PHE . 49.5 mt -104.62 146.47 28.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.666 ' HG3' HD13 ' A' ' 512' ' ' ILE . 55.3 mttt -82.15 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 15.2 t -157.16 145.31 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 23.0 t -114.25 135.69 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -122.8 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 478' ' ' ILE . 2.6 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -101.85 63.85 0.49 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 0.2 OUTLIER -159.99 124.0 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -137.73 149.61 20.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.442 ' CE1' HD13 ' A' ' 465' ' ' LEU . 56.7 m-85 -105.55 132.37 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.43 ' CG1' HD22 ' A' ' 488' ' ' LEU . 50.6 t -127.36 112.53 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -96.09 142.01 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.724 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 13.9 m-85 -111.69 151.95 28.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.666 HD13 ' HG3' ' A' ' 489' ' ' LYS . 45.0 mm -62.04 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 54.4 p -127.93 137.42 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -45.47 -42.82 10.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 518' ' ' LYS . 15.4 mm100 -53.21 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.29 -44.44 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -65.05 -37.01 86.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 515' ' ' GLN . 28.3 mttm -69.82 -61.41 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 7.1 ptmt -49.79 -39.25 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -69.99 -57.91 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 9.9 t80 -37.88 -53.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.2 OUTLIER -65.87 -46.46 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.427 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -49.93 -51.73 38.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 485' ' ' PHE . 7.4 mp -76.67 -55.21 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 35.4 t -40.38 -48.24 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -38.2 -57.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.3 p -173.62 105.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 30.5 m -122.07 122.37 39.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' HIS . . . . . 0.465 ' CE1' ' HE ' ' A' ' 534' ' ' ARG . 1.5 m80 -111.04 118.9 37.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.4 tp -129.94 114.61 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.502 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.9 m-85 57.33 39.91 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.14 36.11 84.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -143.67 146.39 33.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.465 ' HE ' ' CE1' ' A' ' 529' ' ' HIS . 13.3 tpp85 -98.3 121.01 39.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 466' ' ' VAL . 71.3 mt -85.85 143.65 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.4 t -97.85 127.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 2.1 mm? -99.91 116.06 31.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -129.52 157.98 40.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.493 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 94.8 m95 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.947 0.403 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.4 mtmm -146.68 120.69 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 482' ' ' PHE . 78.0 mt -104.44 109.05 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.13 98.47 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.759 HG13 HD11 ' A' ' 469' ' ' ILE . 4.9 p -83.94 110.03 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' ARG . . . . . 0.867 HH12 HG11 ' A' ' 536' ' ' VAL . 5.4 ttp-105 -101.31 164.82 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 15.0 t30 71.31 43.0 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.759 HD11 HG13 ' A' ' 466' ' ' VAL . 81.9 mt -83.75 134.03 45.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 54.1 Cg_endo -69.73 160.53 49.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -54.36 -51.11 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -54.45 -49.56 69.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -50.19 107.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -115.71 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' A' ' 493' ' ' LEU . 12.9 tp60 -40.01 -66.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 477' ' ' GLU . 7.2 ttm105 -44.72 -61.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 476' ' ' ARG . 23.5 mm-40 -34.43 -54.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 493' ' ' LEU . 4.1 mm -63.7 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.493 ' O ' HD11 ' A' ' 488' ' ' LEU . 17.2 ttp180 -36.53 -64.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 481' ' ' LEU . 9.3 pt-20 -63.83 -49.25 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 480' ' ' GLU . 16.4 tp -35.35 -43.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 509' ' ' VAL . 46.7 m-85 -94.58 -42.58 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.0 t -40.7 -42.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 62.3 m -40.37 -47.73 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 520' ' ' ALA . 49.4 m-85 -65.57 -42.88 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -177.78 175.56 47.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.46 143.01 54.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 479' ' ' ARG . 36.6 mt -107.63 153.77 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.767 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.1 OUTLIER -81.73 -53.15 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 11.4 t -168.9 135.54 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 71.8 t -100.81 135.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -128.37 123.04 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 478' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.857 0.36 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -67.92 71.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 506' ' ' PHE . 2.0 p90 -164.69 123.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.65 146.58 17.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.63 128.03 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 482' ' ' PHE . 79.0 t -118.34 132.15 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.31 142.01 47.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -114.51 164.67 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.767 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.4 mm -77.43 -36.09 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.9 p -133.72 146.21 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 517' ' ' ALA . 24.6 mtpp -51.31 -52.15 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 514' ' ' LYS . 39.7 mt-30 -35.91 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -44.06 -38.37 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 514' ' ' LYS . . . -66.77 -40.66 88.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.2 -50.26 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 14.0 ptpt -67.23 -36.62 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -61.91 -55.99 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 525' ' ' CYS . 9.4 t80 -61.34 -52.74 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -54.65 -28.72 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 485' ' ' PHE . . . -81.57 -56.91 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.526 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.9 mp -64.23 -56.06 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 521' ' ' PHE . 4.4 p -46.33 -27.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.74 -45.41 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.1 t -174.27 108.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 96.2 m -125.22 125.43 43.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -119.67 119.49 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 16.3 tp -135.25 114.54 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.519 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 65.1 m-85 55.89 48.48 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 59.95 36.73 91.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -140.18 154.69 47.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -106.88 100.77 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.34 149.35 42.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.867 HG11 HH12 ' A' ' 467' ' ' ARG . 24.4 t -102.97 121.84 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 3.4 mm? -97.74 123.64 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -149.88 131.06 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.5 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.922 0.391 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -141.99 110.69 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.644 HD12 ' CE1' ' A' ' 511' ' ' PHE . 55.3 mt -104.93 114.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.723 HD13 ' CE1' ' A' ' 508' ' ' PHE . 17.1 tp -108.3 106.31 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.725 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -91.36 120.54 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -111.54 173.02 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 19.9 t30 58.8 45.31 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.725 HD11 HG13 ' A' ' 466' ' ' VAL . 73.3 mt -86.97 135.39 35.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.76 148.13 64.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.52 -38.25 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.78 -49.81 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -54.11 123.33 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -114.51 176.95 4.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD22 ' A' ' 493' ' ' LEU . 4.8 tt0 -48.0 -52.13 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -52.19 -55.94 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -44.1 -51.4 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.29 -51.88 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.408 ' HG3' HG21 ' A' ' 491' ' ' VAL . 34.4 ttp85 -47.25 -49.08 24.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 481' ' ' LEU . 5.4 pt-20 -74.09 -33.33 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 480' ' ' GLU . 12.4 tp -59.0 -35.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 488' ' ' LEU . 68.4 m-85 -97.94 -41.52 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 486' ' ' GLY . 47.7 t -46.82 -48.96 20.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 9.9 t -39.18 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 524' ' ' LEU . 57.3 m-85 -85.94 -40.5 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 486' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -177.24 177.27 48.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.68 134.81 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 482' ' ' PHE . 80.4 mt -104.91 137.83 42.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 512' ' ' ILE . 32.4 mttt -67.93 -49.53 61.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 13.0 t -172.41 136.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.441 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.9 t -99.89 134.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -124.32 125.63 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 475' ' ' GLN . 4.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -76.07 67.59 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -157.53 140.65 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.416 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -156.32 150.34 21.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.723 ' CE1' HD13 ' A' ' 465' ' ' LEU . 17.2 m-85 -114.02 139.19 49.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 482' ' ' PHE . 22.5 t -132.88 124.51 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -110.91 141.07 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 464' ' ' ILE . 21.3 m-85 -111.56 162.47 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.607 HD13 ' HG2' ' A' ' 489' ' ' LYS . 34.0 mm -73.44 -43.92 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 18.2 p -113.07 -179.38 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -43.44 11.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -52.4 -62.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -48.1 -37.3 14.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.79 75.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -76.65 -57.03 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 1.9 ptpp? -54.25 -37.12 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -73.69 -55.37 6.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 539' ' ' TRP . 22.3 t80 -44.63 -54.29 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.6 OUTLIER -70.24 -44.34 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -46.13 -54.14 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.0 mp -77.05 -54.39 6.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 37.6 t -34.57 -53.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -37.49 -65.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 88.5 p -155.06 107.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.0 m -125.68 106.43 9.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -106.96 120.72 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.1 tp -133.99 122.13 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.445 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 54.53 33.77 19.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.46 36.33 49.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -140.99 145.19 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.67 99.2 10.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.18 144.94 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.77 125.51 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.05 127.12 51.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.15 146.3 40.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.479 ' CD1' ' CZ ' ' A' ' 521' ' ' PHE . 96.4 m95 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.966 0.413 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LYS . . . . . 0.55 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 16.1 ttmm -139.14 117.02 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 482' ' ' PHE . 96.7 mt -94.13 110.94 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.16 101.83 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.998 HG13 HD11 ' A' ' 469' ' ' ILE . 7.3 p -87.87 126.49 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -115.5 166.15 12.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.7 t30 69.63 34.18 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.998 HD11 HG13 ' A' ' 466' ' ' VAL . 75.3 mt -75.66 134.47 72.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 139.95 41.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 471' ' ' PHE . 6.9 t80 -48.4 -42.21 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -55.64 -38.4 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -66.03 141.61 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -132.42 -179.44 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 493' ' ' LEU . 34.0 tt0 -47.27 -54.38 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -53.58 -54.34 38.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -41.86 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.1 mm -61.85 -47.88 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.577 ' HG3' HG21 ' A' ' 491' ' ' VAL . 24.2 mtp180 -42.47 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.88 -35.81 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.65 -43.62 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 464' ' ' ILE . 80.4 m-85 -95.69 -52.18 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 482' ' ' PHE . 3.0 p -36.48 -31.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 482' ' ' PHE . 77.8 m -54.64 -48.49 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.5 ' CE1' HD21 ' A' ' 524' ' ' LEU . 42.0 m-85 -64.7 -43.65 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -166.4 174.27 41.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.78 140.47 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.3 mt -107.2 163.34 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.688 ' HG2' HD13 ' A' ' 512' ' ' ILE . 15.5 mttm -97.22 -50.62 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.8 t -173.87 131.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.577 HG21 ' HG3' ' A' ' 479' ' ' ARG . 56.3 t -102.73 127.55 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -115.71 124.65 51.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 475' ' ' GLN . 2.6 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.728 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.65 61.23 4.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -162.8 138.18 6.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.02 145.92 17.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.55 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 25.6 m-85 -106.08 125.73 51.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.48 130.79 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -114.68 144.94 42.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.422 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.2 m-85 -113.99 160.52 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.688 HD13 ' HG2' ' A' ' 489' ' ' LYS . 48.4 mm -70.6 -45.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 68.5 p -125.73 137.62 53.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -44.7 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -52.49 -59.34 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -48.49 -40.94 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.78 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -49.88 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -51.08 -58.65 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -54.79 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.5 t80 -40.49 -40.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -58.7 -46.97 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 485' ' ' PHE . 4.4 mm? -54.58 -59.15 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 526' ' ' HIS . 45.9 t -41.72 -53.14 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 525' ' ' CYS . 34.5 t-80 -36.62 -57.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 59.9 p -169.83 114.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 535' ' ' LEU . 22.6 m -125.43 105.76 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.56 118.48 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.2 tp -130.69 121.86 26.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.2 m-85 52.03 49.98 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 58.33 35.87 80.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -141.01 155.02 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -102.58 120.27 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 528' ' ' THR . 87.8 mt -86.52 154.49 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.24 129.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.08 125.88 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.68 133.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 514' ' ' LYS . 19.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.947 0.403 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -145.43 138.9 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.668 HG21 ' CE1' ' A' ' 482' ' ' PHE . 63.7 mt -119.97 115.54 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.697 HD13 ' CE1' ' A' ' 508' ' ' PHE . 10.8 tp -110.39 107.91 17.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.882 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -93.55 119.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -106.29 167.5 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.8 t30 68.23 39.83 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.882 HD11 HG13 ' A' ' 466' ' ' VAL . 96.9 mt -83.85 130.72 54.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' PHE . 53.7 Cg_endo -69.79 132.34 23.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 471' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' PRO . 10.8 t80 -37.59 -46.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -49.9 -47.68 52.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -48.79 138.93 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -129.84 163.77 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -47.31 -35.52 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -65.92 -53.17 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -48.88 -49.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 13.6 mm -64.38 -47.42 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.451 ' HA ' HG21 ' A' ' 491' ' ' VAL . 8.7 ttp85 -44.12 -60.85 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.65 -31.01 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.43 -39.11 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 464' ' ' ILE . 40.5 m-85 -94.93 -52.43 4.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 486' ' ' GLY . 7.4 p -43.95 -46.63 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 483' ' ' SER . 9.0 t -38.03 -34.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' A' ' 523' ' ' ALA . 32.3 m-85 -78.14 -43.09 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 486' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -165.49 -169.48 29.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.467 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.05 134.86 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 511' ' ' PHE . 34.3 mt -107.23 145.9 32.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.631 ' CG ' HD13 ' A' ' 512' ' ' ILE . 33.2 mttt -80.25 -50.15 10.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 5.2 t -173.78 132.74 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.453 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.5 t -99.05 126.93 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -115.41 112.24 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.453 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.3 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.37 60.84 2.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.524 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 1.7 p90 -158.23 127.84 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.79 144.47 15.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.697 ' CE1' HD13 ' A' ' 465' ' ' LEU . 29.9 m-85 -107.75 131.15 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.31 132.43 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -111.95 134.73 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.8 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 9.0 m-85 -107.88 163.08 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.631 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.6 mm -65.69 -43.54 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 513' ' ' THR . . . . . 0.428 HG23 ' OD2' ' A' ' 516' ' ' ASP . 0.0 OUTLIER -142.05 157.1 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 514' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 462' ' ' SER . 25.4 mttm -57.92 -36.46 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.17 -48.3 65.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 516' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 513' ' ' THR . 54.6 m-20 -69.56 -57.55 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.8 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -51.6 -27.19 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -74.62 -59.96 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 16.9 ptmt -55.89 -43.5 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -61.17 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 537' ' ' LEU . 8.9 t80 -59.47 -38.18 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -70.78 -27.95 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 485' ' ' PHE . . . -87.8 -20.56 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 28.7 mt -98.22 -58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 14.2 p -40.72 -27.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 524' ' ' LEU . 2.3 t-160 -50.35 -61.17 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 t -170.48 109.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.7 123.44 47.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.44 122.22 46.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.0 tp -141.11 122.65 15.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.414 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.2 m-85 51.27 41.14 27.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 64.7 36.43 93.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -138.02 140.09 39.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -95.03 100.4 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.05 147.06 53.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.45 113.51 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 7.0 mp -90.97 133.13 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -144.84 136.96 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 42.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -146.73 132.14 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 18.9 mt -120.94 107.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 506' ' ' PHE . 10.5 tp -97.26 109.25 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 469' ' ' ILE . 4.5 p -94.32 135.99 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 467' ' ' ARG . 10.6 mtp-105 -125.66 177.66 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 9.8 t30 56.97 40.29 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.769 HD11 HG13 ' A' ' 466' ' ' VAL . 37.6 mt -82.79 134.95 46.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.5 Cg_endo -69.79 139.12 39.35 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -48.09 -38.59 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -58.4 -42.19 86.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -64.91 126.8 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -116.74 172.64 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.459 ' HA ' HD22 ' A' ' 493' ' ' LEU . 21.8 tt0 -40.0 -45.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -64.46 -44.71 90.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -49.37 -51.58 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.436 HG13 HD21 ' A' ' 493' ' ' LEU . 20.2 mm -65.41 -42.74 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.586 ' HG3' HG21 ' A' ' 491' ' ' VAL . 55.9 mtt180 -46.26 -67.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.91 -36.76 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 tp -47.42 -55.92 7.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.964 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.4 m-85 -83.69 -47.6 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 25.2 t -42.34 -25.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.802 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 482' ' ' PHE . 20.8 m -54.31 -42.82 70.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' A' ' 524' ' ' LEU . 95.1 m-85 -70.9 -42.32 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -167.68 168.92 40.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.17 138.0 58.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 94.1 mt -103.42 154.98 18.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.532 ' HG2' HD13 ' A' ' 512' ' ' ILE . 35.0 mttt -86.03 -47.18 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.5 t -172.88 133.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.586 HG21 ' HG3' ' A' ' 479' ' ' ARG . 83.3 t -103.07 117.04 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -106.56 118.44 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.555 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -78.61 76.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -162.36 140.36 8.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -167.66 156.29 27.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -107.17 140.64 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.45 129.93 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.11 146.45 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.6 m-85 -119.3 141.24 49.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.532 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.8 mm -49.41 -40.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 40.4 p -127.32 150.48 49.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -61.46 -47.94 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -43.35 -42.51 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' ASP . . . . . 0.499 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 38.8 m-20 -68.45 -46.92 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.13 -53.68 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -63.11 -44.8 94.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -54.87 -58.0 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.08 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 46.1 t80 -45.7 -64.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -58.9 -43.74 91.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.83 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.964 HD12 ' CE2' ' A' ' 482' ' ' PHE . 62.0 mt -71.99 -53.19 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 1.2 t -34.33 -53.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 525' ' ' CYS . 43.2 t-80 -35.72 -59.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 92.6 p -171.6 108.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 9.9 m -122.96 111.12 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 529' ' ' HIS . . . . . 0.405 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.3 m-70 -109.71 118.37 36.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.1 tp -128.62 130.43 47.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.8 m-85 50.46 27.22 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.41 30.15 41.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -135.41 133.28 38.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.405 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 2.4 tmt_? -84.84 99.14 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.3 158.66 16.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.8 131.17 70.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.4 mm? -100.84 113.69 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.65 139.14 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.664 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 95.6 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -132.14 116.21 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 482' ' ' PHE . 91.5 mt -89.44 107.54 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.65 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -102.76 104.12 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.605 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.5 149.01 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -138.85 173.05 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.39 35.97 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 470' ' ' PRO . 44.4 mt -81.13 138.0 49.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.675 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 53.4 Cg_endo -69.78 176.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.22 -57.37 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -48.33 -35.75 12.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.675 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -52.62 116.35 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -116.01 171.7 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 475' ' ' GLN . 0.1 OUTLIER -53.44 -37.56 62.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -63.56 -42.57 98.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.76 -44.22 97.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.562 HG13 HD21 ' A' ' 493' ' ' LEU . 10.4 mm -71.1 -54.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.537 ' O ' HD11 ' A' ' 488' ' ' LEU . 44.7 ttt180 -41.85 -53.53 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.26 -42.45 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 tp -45.57 -40.37 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 464' ' ' ILE . 72.2 m-85 -94.43 -46.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 482' ' ' PHE . 23.0 t -37.24 -39.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 18.0 m -48.26 -50.37 29.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.402 ' CE1' HD21 ' A' ' 524' ' ' LEU . 39.7 m-85 -64.1 -42.1 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.91 168.75 41.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.16 140.77 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 479' ' ' ARG . 39.5 mt -103.77 152.36 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.863 ' HG2' HD13 ' A' ' 512' ' ' ILE . 27.3 mmtt -87.33 -38.78 15.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.9 t -174.03 147.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.449 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 41.3 t -118.54 111.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -104.22 119.99 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.562 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.07 62.95 2.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -160.43 170.9 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -174.5 145.57 8.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.7 m-85 -105.18 117.7 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 482' ' ' PHE . 40.0 t -113.62 130.85 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 148.41 38.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 12.6 m-85 -118.09 145.4 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.863 HD13 ' HG2' ' A' ' 489' ' ' LYS . 40.8 mm -56.34 -42.7 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 36.1 p -119.4 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -47.81 -50.03 27.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -43.45 -61.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 516' ' ' ASP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 86.8 m-20 -41.87 -56.64 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.4 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.62 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -44.7 -63.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -49.81 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.611 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 85.2 t80 -34.85 -42.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.65 -61.19 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.75 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.489 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.0 mm? -50.46 -53.99 25.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.47 -35.02 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -43.79 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.8 p -170.84 105.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.0 m -123.41 98.22 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.87 121.11 35.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -130.52 116.54 18.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.465 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 80.3 m-85 62.33 32.01 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.05 31.18 66.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -137.72 126.33 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -75.33 124.2 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 469' ' ' ILE . 58.5 mt -91.15 153.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 50.6 t -115.1 138.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.71 130.05 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -147.03 145.26 29.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.611 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 95.9 m95 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.977 0.417 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -146.52 115.37 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.53 111.97 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.6 tp -101.42 107.32 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 469' ' ' ILE . 3.3 p -90.55 111.43 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -101.06 163.46 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 42.4 t30 67.19 48.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 466' ' ' VAL . 48.4 mt -85.99 128.36 58.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.74 33.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -41.93 -50.79 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -46.09 -47.88 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -53.55 142.04 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -132.03 162.95 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' A' ' 493' ' ' LEU . 0.5 OUTLIER -41.94 -51.7 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.13 -44.51 79.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.33 -47.93 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.4 mm -66.7 -54.02 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -41.1 -53.97 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.51 -36.54 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.4 tp -51.1 -51.79 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 488' ' ' LEU . 85.2 m-85 -84.65 -46.23 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 47.0 t -41.51 -33.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 29.0 m -54.19 -49.0 70.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.86 -43.47 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -168.06 172.38 42.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.17 138.19 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 482' ' ' PHE . 85.7 mt -107.35 144.22 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.478 ' CG ' HD13 ' A' ' 512' ' ' ILE . 27.8 mttm -75.0 -44.1 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -172.98 149.87 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.446 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 24.8 t -119.7 123.07 70.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -115.52 121.66 43.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -90.47 62.55 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -161.64 142.11 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.45 147.55 18.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 465' ' ' LEU . 14.4 m-85 -110.58 127.09 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 482' ' ' PHE . 69.0 t -123.87 139.09 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.16 152.1 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 10.2 m-85 -121.9 148.09 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.478 HD13 ' CG ' ' A' ' 489' ' ' LYS . 46.3 mm -53.61 -44.08 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 37.2 p -131.55 176.05 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.86 -34.95 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.45 -61.81 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -61.62 -44.01 97.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.18 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -55.86 -54.9 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -48.32 -71.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -40.07 -66.13 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 521' ' ' PHE . 5.8 t80 -43.89 -55.93 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -46.44 -34.04 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -82.01 -48.38 11.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.517 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.3 mm? -60.27 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 14.1 p -49.98 -45.92 52.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.455 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 20.9 t-80 -37.38 -56.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -174.5 105.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 90.2 m -125.21 120.67 31.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.9 m-70 -119.23 117.06 27.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 12.6 tp -125.0 121.26 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 58.41 32.45 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.84 31.99 57.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -138.35 124.88 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -78.29 104.71 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.04 147.61 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.23 118.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.417 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 4.7 mp -98.72 134.57 41.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.47 137.42 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.3 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -146.18 122.01 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.482 HG21 ' CE2' ' A' ' 482' ' ' PHE . 66.8 mt -110.08 107.44 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 507' ' ' GLY . 13.6 tp -105.23 113.94 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 469' ' ' ILE . 2.6 p -94.83 132.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -120.99 166.33 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 21.0 t30 67.64 38.68 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 466' ' ' VAL . 67.0 mt -83.7 133.14 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.77 145.67 57.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -49.74 -35.87 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 531' ' ' TYR . 23.8 mm-40 -58.46 -44.03 89.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -46.72 142.43 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 475' ' ' GLN . 94.0 m-20 -132.0 153.69 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.602 ' HA ' HD13 ' A' ' 493' ' ' LEU . 36.1 tt0 -38.26 -46.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.83 -45.4 86.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 477' ' ' GLU . 0.1 OUTLIER -48.22 -51.75 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.44 -52.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 488' ' ' LEU . 23.4 ttt180 -41.71 -64.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.31 -46.3 86.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 484' ' ' THR . 20.2 tp -40.69 -42.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.538 ' CE2' ' HG ' ' A' ' 524' ' ' LEU . 60.6 m-85 -92.34 -32.14 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.2 t -53.66 -26.44 22.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 481' ' ' LEU . 4.0 t -62.15 -32.7 73.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 524' ' ' LEU . 74.3 m-85 -79.94 -40.98 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -169.48 -171.17 34.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -79.12 137.64 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 479' ' ' ARG . 41.2 mt -106.12 143.59 34.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.901 ' HG2' HD13 ' A' ' 512' ' ' ILE . 7.8 mmtm -75.26 -56.09 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.7 t -164.35 140.97 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 479' ' ' ARG . 72.0 t -105.52 135.6 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -128.04 124.06 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.602 HD13 ' HA ' ' A' ' 475' ' ' GLN . 4.2 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.3 61.65 4.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -157.0 133.23 9.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.63 141.52 10.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -104.6 136.12 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.27 122.38 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.66 147.11 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 7.2 m-85 -118.66 157.65 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.901 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.7 mm -66.44 -50.72 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 75.1 p -123.25 173.36 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -75.32 -57.34 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -38.96 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -54.17 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.23 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -44.64 -61.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -48.63 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -39.64 -67.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 537' ' ' LEU . 13.1 t80 -45.39 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -42.38 -29.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -88.17 -35.95 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 485' ' ' PHE . 2.4 mm? -73.05 -55.47 6.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 521' ' ' PHE . 14.6 p -48.29 -31.58 6.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -50.28 -58.09 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.1 t -166.72 106.33 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.4 m -122.59 94.79 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 529' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -101.62 135.4 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.3 tp -147.19 127.08 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.0 m-85 52.39 31.07 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.75 19.61 70.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -130.49 122.99 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.499 ' CG ' ' CE1' ' A' ' 529' ' ' HIS . 1.2 tmt_? -83.12 104.54 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.54 HD13 HG21 ' A' ' 466' ' ' VAL . 45.4 mt -62.08 161.16 11.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.1 t -113.59 130.68 67.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 2.6 mm? -98.78 117.74 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -138.64 134.17 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 74.5 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 482' ' ' PHE . 47.2 mt -102.58 111.09 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.8 tp -108.97 100.13 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.823 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.75 124.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -111.53 171.1 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 28.8 t30 62.82 35.94 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.823 HD11 HG13 ' A' ' 466' ' ' VAL . 86.3 mt -74.35 130.19 82.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.6 57.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.96 -13.32 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -86.78 -11.48 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -97.12 123.69 40.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.79 171.23 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -47.37 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -53.76 -49.96 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.76 -53.94 40.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.98 -47.77 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -46.38 -56.87 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.2 tp -52.61 -40.21 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.675 ' CE1' HG21 ' A' ' 464' ' ' ILE . 61.7 m-85 -95.75 -45.53 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 486' ' ' GLY . 35.2 t -39.64 -51.08 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 61.7 m -38.27 -41.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 22.8 m-85 -69.59 -39.02 77.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 486' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 483' ' ' SER . . . 179.82 179.15 48.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.64 137.24 57.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 482' ' ' PHE . 18.8 mt -105.26 157.51 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.777 ' HG2' HD13 ' A' ' 512' ' ' ILE . 21.5 mttm -86.69 -51.24 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 134.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.0 t -98.0 111.89 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -108.64 119.41 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.726 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.04 68.29 1.68 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -164.28 137.84 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.85 134.78 6.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.5 m-85 -100.6 115.94 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.38 139.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.95 147.14 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.559 ' HE2' HD12 ' A' ' 464' ' ' ILE . 12.3 m-85 -118.49 149.25 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.777 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.9 mm -60.87 -42.76 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 1.6 p -118.83 178.61 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -86.95 -38.72 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -50.56 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.1 -41.94 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -57.02 -55.52 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.51 -55.86 28.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -48.11 -58.34 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -60.83 -34.79 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.626 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 91.3 t80 -59.36 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.445 ' OD1' ' NE2' ' A' ' 526' ' ' HIS . 2.0 p30 -68.6 -45.06 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.91 -55.69 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 525' ' ' CYS . 17.9 mt -73.12 -52.84 12.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -36.3 -47.95 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 522' ' ' ASN . 11.6 m-70 -41.49 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 62.5 m -146.45 106.13 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' THR . . . . . 0.535 ' CG2' HD12 ' A' ' 535' ' ' LEU . 38.6 m -122.99 96.29 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -98.33 117.75 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.7 tp -132.37 114.86 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.489 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 70.7 m-85 57.4 46.28 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 61.43 22.06 60.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -135.08 125.89 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -76.33 147.35 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 466' ' ' VAL . 72.0 mt -110.17 135.05 51.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.28 109.81 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.97 121.25 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -136.59 156.36 48.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.626 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 89.4 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -142.59 127.01 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 482' ' ' PHE . 57.5 mt -107.87 115.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.03 106.39 14.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.422 HG13 HD11 ' A' ' 469' ' ' ILE . 5.0 p -89.23 124.56 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -115.06 172.34 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 505' ' ' GLY . 15.8 t30 59.72 43.5 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.422 HD11 HG13 ' A' ' 466' ' ' VAL . 7.9 mt -82.94 132.66 50.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.76 63.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -55.61 -41.24 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.81 -39.21 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.08 141.71 58.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 477' ' ' GLU . 1.0 OUTLIER -128.41 166.15 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -44.03 -52.72 6.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.88 -49.04 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.428 ' H ' ' ND2' ' A' ' 474' ' ' ASN . 42.5 tp10 -52.56 -45.55 66.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 493' ' ' LEU . 42.9 mm -65.63 -47.3 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 491' ' ' VAL . 45.8 ttp85 -52.11 -53.41 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.54 -33.02 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 484' ' ' THR . 22.5 tp -54.28 -44.31 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 509' ' ' VAL . 74.5 m-85 -91.25 -37.12 13.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 15.7 t -53.74 -35.24 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 481' ' ' LEU . 5.5 t -58.14 -16.1 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 524' ' ' LEU . 53.1 m-85 -97.8 -42.88 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -163.38 -177.45 36.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 487' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 512' ' ' ILE . 4.6 tp10 -70.39 134.95 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 38.0 mt -103.75 147.19 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 512' ' ' ILE . 43.7 mttt -89.27 -47.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.7 t -174.13 138.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 36.6 t -112.71 132.86 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -121.71 120.67 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.671 HD21 HG13 ' A' ' 478' ' ' ILE . 3.0 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 506' ' ' PHE . 4.6 tpt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -77.79 50.38 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 506' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -148.16 145.16 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -148.82 141.7 9.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -99.14 127.68 45.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 482' ' ' PHE . 59.8 t -127.75 116.23 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 510' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 22.6 t0 -105.95 149.16 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 6.9 m-85 -117.83 158.84 24.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.77 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.1 mm -69.15 -41.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 71.1 p -119.25 177.7 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -87.42 -55.69 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -41.05 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -75.7 -66.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -40.0 -40.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -40.48 -51.38 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.99 -45.5 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.58 -51.24 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 485' ' ' PHE . 10.7 mp -79.99 -53.92 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 524' ' ' LEU . 39.4 t -36.13 -56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 525' ' ' CYS . 70.8 t60 -35.99 -58.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.1 t -163.92 106.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 86.1 m -126.14 111.91 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.5 117.77 32.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.4 tp -123.94 130.33 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.531 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.7 m-85 44.13 36.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.66 31.19 65.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -89.02 110.01 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.34 141.07 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 538' ' ' GLU . 89.6 t -105.27 116.09 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.84 132.6 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' GLU . . . . . 0.464 ' CD ' HG12 ' A' ' 536' ' ' VAL . 3.3 mp0 -143.11 167.68 21.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 96.7 m95 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -141.29 105.09 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 51.0 mt -95.52 109.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.1 tp -104.08 99.13 8.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' VAL . . . . . 0.904 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -86.17 121.25 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -110.95 172.59 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' ASN . . . . . 0.466 ' O ' HD23 ' A' ' 535' ' ' LEU . 12.6 t30 62.96 42.11 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' ILE . . . . . 0.904 HD11 HG13 ' A' ' 466' ' ' VAL . 41.8 mt -88.64 136.23 31.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.637 0.732 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.75 142.55 48.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -46.13 -42.26 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.99 -42.41 68.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -48.21 128.88 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -127.09 162.31 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -67.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -42.99 -33.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -63.62 -54.62 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 22.5 mm -68.3 -37.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.687 ' HG2' HG21 ' A' ' 491' ' ' VAL . 0.0 OUTLIER -51.89 -58.6 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.47 -30.31 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 484' ' ' THR . 20.5 tp -56.47 -43.31 79.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 482' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 524' ' ' LEU . 53.8 m-85 -93.77 -45.6 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 483' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 479' ' ' ARG . 10.6 t -44.34 -36.71 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 485' ' ' PHE . 9.1 t -44.48 -43.36 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 485' ' ' PHE . . . . . 0.522 ' CD1' HG23 ' A' ' 484' ' ' THR . 65.9 m-85 -67.86 -35.77 79.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 174.75 -179.26 46.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.46 142.79 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 479' ' ' ARG . 78.1 mt -107.33 157.52 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 489' ' ' LYS . . . . . 0.839 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.1 mmtp -87.5 -45.98 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.2 t -169.95 133.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 491' ' ' VAL . . . . . 0.687 HG21 ' HG2' ' A' ' 479' ' ' ARG . 25.2 t -103.99 105.07 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -104.03 131.04 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.0 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.905 0.384 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -75.91 66.57 2.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -162.38 134.9 5.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -141.56 144.09 13.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.15 119.49 39.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 482' ' ' PHE . 68.5 t -121.76 125.99 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.69 149.02 41.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -115.7 172.46 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.839 HD13 ' HG2' ' A' ' 489' ' ' LYS . 38.6 mm -83.39 -44.49 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 73.0 p -119.17 142.23 48.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -48.92 -60.54 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -39.47 -57.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.31 -40.74 26.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -72.06 -39.65 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.41 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.516 ' HA ' ' ND2' ' A' ' 522' ' ' ASN . 15.3 ptpt -66.93 -38.39 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.6 ' O ' HD13 ' A' ' 524' ' ' LEU . . . -72.71 -32.67 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 521' ' ' PHE . . . . . 0.486 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 14.8 t80 -71.85 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 522' ' ' ASN . . . . . 0.516 ' ND2' ' HA ' ' A' ' 519' ' ' LYS . 1.8 p30 -58.27 -38.06 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.27 61.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' LEU . . . . . 0.774 HD22 ' CE1' ' A' ' 482' ' ' PHE . 10.8 mp -68.5 -59.34 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 1.2 p -40.08 -41.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 526' ' ' HIS . . . . . 0.43 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 6.6 m170 -46.69 -50.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 57.2 p -172.46 106.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 535' ' ' LEU . 14.5 m -124.95 109.19 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.37 122.45 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 9.0 tp -132.16 127.21 35.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 531' ' ' TYR . . . . . 0.516 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 79.6 m-85 53.08 28.81 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.63 37.66 39.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -132.74 151.39 52.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -100.21 100.32 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 528' ' ' THR . 45.2 mt -75.47 137.52 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.94 128.22 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.97 117.4 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -140.41 137.01 33.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' TRP . . . . . 0.486 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 77.8 m95 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 43.8 t -120.17 92.3 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 36.8 m -109.66 95.6 5.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -112.84 60.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 72.3 p -100.05 84.91 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.2 m -156.79 168.93 25.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 133.62 156.46 8.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.417 ' H ' ' CD ' ' A' ' 454' ' ' GLN . 13.3 mp0 -49.3 178.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 30.1 m -45.65 147.39 1.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 137.78 36.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 458' ' ' LYS . 39.6 mttt -93.26 143.65 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 457' ' ' LYS . 33.5 mttp -37.33 -60.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -85.92 129.17 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 12.3 t -89.61 153.36 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.5 m -60.9 107.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 77.3 p -99.7 88.9 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -144.2 112.39 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 511' ' ' PHE . 96.5 mt -95.67 109.51 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 507' ' ' GLY . 15.2 tp -105.11 103.82 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -85.35 120.0 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -111.67 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.8 t30 60.43 41.84 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 470' ' ' PRO . 75.1 mt -84.5 138.6 38.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.4 Cg_endo -69.72 150.55 68.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.24 -11.68 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -86.73 -25.21 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -69.17 141.6 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -132.4 170.33 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 493' ' ' LEU . 1.1 tm0? -44.59 -61.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -51.97 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.23 -56.81 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 479' ' ' ARG . 37.3 mm -68.23 -47.78 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.938 ' HA ' HG21 ' A' ' 491' ' ' VAL . 0.2 OUTLIER -37.84 -64.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.55 -48.16 70.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.5 tp -37.78 -38.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.733 ' CE2' HD12 ' A' ' 524' ' ' LEU . 31.9 m-85 -98.57 -42.41 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.492 ' N ' HD11 ' A' ' 488' ' ' LEU . 7.5 t -46.43 -44.73 17.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 6.0 t -45.24 -33.35 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.23 -34.98 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 179.32 173.41 44.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' GLU . . . . . 0.42 ' HG3' HD11 ' A' ' 512' ' ' ILE . 19.3 tp10 -62.01 131.79 50.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 483' ' ' SER . 75.0 mt -105.82 128.27 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.531 ' HG2' HD13 ' A' ' 512' ' ' ILE . 36.2 mmtt -55.37 -52.5 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.9 t -169.41 129.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.938 HG21 ' HA ' ' A' ' 479' ' ' ARG . 20.2 t -100.8 110.54 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -102.96 131.89 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp -140.45 147.12 48.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.15 24.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.393 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -114.18 136.09 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.699 ' HB2' ' HB1' ' A' ' 502' ' ' ALA . 25.7 ttmt -46.61 129.25 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 499' ' ' GLY . 1.9 tmt? -127.9 150.06 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 28.2 m -39.81 95.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 152.88 -178.88 29.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 72.8 p -67.03 139.22 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 81.31 124.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 496' ' ' LYS . . . -95.03 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.567 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.7 t-80 -114.9 110.37 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.567 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 13.5 mmt180 -64.79 -178.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -104.13 61.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -158.41 136.5 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.39 144.85 14.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -107.95 127.39 53.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 33.7 t -127.24 122.28 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 489' ' ' LYS . 39.7 t0 -111.18 137.48 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 12.8 m-85 -105.8 163.97 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.5 mm -69.13 -44.45 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 65.9 p -129.58 160.72 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -57.56 -45.83 84.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.56 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -45.19 -34.86 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -73.5 -36.21 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.61 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 16.4 ptmt -61.15 -41.28 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.06 -54.14 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -44.87 -51.28 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -73.01 -45.09 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -45.68 -35.79 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.733 HD12 ' CE2' ' A' ' 482' ' ' PHE . 94.3 mt -99.42 -53.12 3.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 524' ' ' LEU . 41.4 t -35.15 -52.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 525' ' ' CYS . 13.5 t-160 -35.34 -61.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 63.9 p -166.2 106.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 37.4 m -125.61 114.58 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 0.3 OUTLIER -110.49 120.6 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.2 tp -129.63 118.05 21.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.486 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 69.6 m-85 61.57 31.76 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.43 57.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -134.56 135.26 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.546 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.1 tmm_? -86.95 99.19 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 93.8 mt -60.19 150.58 29.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.6 t -118.17 106.71 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -88.38 126.69 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -144.73 147.64 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -78.81 110.56 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -43.78 128.56 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.86 127.54 32.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.2 t -102.43 157.26 17.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.19 138.03 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 544' ' ' VAL . 0.2 OUTLIER -76.89 114.18 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 545' ' ' THR . 7.5 t -124.04 118.63 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.15 122.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.08 158.76 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 11.5 t -101.41 -64.66 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.73 146.25 39.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -177.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.2 m -107.9 88.96 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 t -72.53 90.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.1 m -79.79 93.96 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 3.1 m -45.25 -58.81 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 84.52 92.2 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 35.1 p -88.53 -54.63 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.395 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 82.5 p 42.7 40.19 1.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -94.25 77.79 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -173.28 140.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.07 146.62 37.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 166.53 27.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.47 75.02 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 29.6 mttp 61.92 34.58 16.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -141.65 132.15 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 68.4 m -108.35 138.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.0 t -133.0 148.68 52.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 63.7 p -112.13 86.63 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -133.76 118.09 17.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 511' ' ' PHE . 75.0 mt -110.22 108.13 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.42 108.22 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.928 HG13 HD11 ' A' ' 469' ' ' ILE . 7.2 p -92.03 129.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -117.85 170.51 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 505' ' ' GLY . 22.7 t30 63.73 44.22 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.928 HD11 HG13 ' A' ' 466' ' ' VAL . 85.9 mt -87.13 138.42 32.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.734 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.71 143.52 51.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.686 2.258 . . . . 0.0 112.394 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.34 -38.48 63.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -58.32 -43.95 88.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -57.53 138.75 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -131.77 177.56 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 493' ' ' LEU . 27.3 tt0 -45.57 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -41.67 -43.92 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.427 ' OE2' HD13 ' A' ' 481' ' ' LEU . 5.3 tm-20 -55.05 -58.75 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 35.9 mm -56.88 -44.01 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 491' ' ' VAL . 7.9 mtp85 -48.82 -70.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.61 -36.34 71.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 484' ' ' THR . 19.7 tp -47.12 -54.83 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 524' ' ' LEU . 54.8 m-85 -86.24 -49.36 7.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 482' ' ' PHE . 44.3 t -36.75 -40.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 481' ' ' LEU . 6.7 t -45.55 -48.44 14.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.52 ' N ' HG23 ' A' ' 484' ' ' THR . 36.6 m-85 -64.72 -43.33 93.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.32 172.47 44.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -59.59 139.93 56.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 482' ' ' PHE . 59.8 mt -107.18 152.38 24.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.429 ' CG ' HD13 ' A' ' 512' ' ' ILE . 23.5 mttm -81.92 -46.41 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.5 t -174.86 136.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 493' ' ' LEU . 70.4 t -105.68 112.31 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -103.06 120.7 41.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.678 ' CD1' HG12 ' A' ' 491' ' ' VAL . 4.4 mp -130.06 143.99 51.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.62 5.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -117.39 105.17 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -86.57 145.84 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 6.9 mmm -103.69 -61.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 33.2 p -67.21 143.41 56.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 98.53 -154.99 20.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 56.3 m -128.92 75.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 63.24 84.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -113.31 40.88 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.479 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.5 t-80 -69.8 113.21 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.479 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 10.8 ttt-85 -65.6 165.69 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -88.77 60.37 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.631 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -151.14 138.24 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -151.54 139.96 7.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -99.89 132.12 45.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.8 126.66 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -111.0 145.53 38.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 464' ' ' ILE . 10.4 m-85 -115.16 156.79 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.429 HD13 ' CG ' ' A' ' 489' ' ' LYS . 32.8 mm -65.79 -46.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 25.2 p -127.82 147.17 50.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.4 mtmm -51.36 -53.86 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 514' ' ' LYS . 77.3 mm-40 -35.1 -64.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -49.11 -49.35 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 521' ' ' PHE . . . -53.02 -39.88 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.6 -57.12 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -49.92 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -56.68 -58.26 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.581 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 25.6 t80 -38.26 -58.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -66.04 -38.97 89.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -53.6 -54.11 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 31.9 mt -79.3 -53.33 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 17.8 t -37.83 -40.72 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -54.08 -54.15 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 93.4 p -159.32 107.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.83 114.78 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -118.76 119.24 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -135.09 126.6 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 84.0 m-85 51.64 38.24 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.22 35.28 82.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -136.49 152.81 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -104.68 102.14 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.1 mt -69.66 147.56 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 65.8 t -115.34 107.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.34 122.66 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -137.9 160.78 38.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.581 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 92.0 m95 -89.03 112.54 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -55.1 134.09 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.66 82.95 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 13.6 t -85.6 115.45 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -75.35 129.66 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.86 149.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 42.0 p -121.95 98.16 5.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 11.7 p -166.64 130.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -88.14 159.43 18.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 16.1 m -44.38 168.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 132.44 82.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 109.98 2.44 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.1 t -76.03 138.38 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.1 m -146.89 167.16 24.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 59.8 p -156.78 173.23 17.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 55.3 m -163.88 177.22 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 147.13 119.71 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 453' ' ' GLY . 44.9 p -160.02 -179.94 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 14.2 t -50.61 91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 451' ' ' SER . . . -82.3 -114.18 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -42.49 150.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.46 144.0 30.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 457' ' ' LYS . 54.0 Cg_endo -69.78 -34.52 14.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 456' ' ' PRO . 19.1 ttmt -34.82 121.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -119.9 86.86 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -130.84 118.09 20.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 9.7 m -76.6 65.91 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 9.2 t -55.86 158.84 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 85.8 p -123.62 86.16 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -145.84 143.79 29.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.483 HD12 ' CE1' ' A' ' 511' ' ' PHE . 70.1 mt -123.41 110.24 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -99.39 105.0 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 1.053 HG13 HD11 ' A' ' 469' ' ' ILE . 3.5 p -86.9 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -120.18 164.09 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 505' ' ' GLY . 28.0 t30 67.89 41.28 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 1.053 HD11 HG13 ' A' ' 466' ' ' VAL . 54.1 mt -86.35 132.95 41.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.77 137.34 35.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -44.92 -25.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.01 -48.73 64.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -47.59 125.21 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -113.21 160.69 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -44.74 -34.45 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -49.87 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -48.81 -48.29 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.432 HG13 HD21 ' A' ' 493' ' ' LEU . 11.8 mm -65.63 -52.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.454 ' HG3' ' CG2' ' A' ' 491' ' ' VAL . 24.5 ttp180 -43.28 -58.11 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.26 -43.29 86.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 tp -45.23 -45.96 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.9 m-85 -87.52 -41.9 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 486' ' ' GLY . 14.0 t -44.67 -44.94 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 97.2 m -39.71 -36.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 63.7 m-85 -77.25 -41.49 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 486' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -176.67 170.68 43.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.07 139.03 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 40.0 mt -107.75 154.23 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.735 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.4 OUTLIER -77.67 -52.31 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.0 t -174.51 140.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 493' ' ' LEU . 21.3 t -104.63 128.44 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -118.14 107.53 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.552 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp -132.84 143.71 49.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.9 68.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -124.45 134.19 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.843 ' HA ' ' HB3' ' A' ' 502' ' ' ALA . 0.2 OUTLIER -51.34 129.2 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 498' ' ' THR . 5.5 mtp -93.07 169.01 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 497' ' ' MET . 49.9 m -34.05 -41.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -68.74 -150.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 17.8 p -130.3 142.09 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 67.2 79.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.843 ' HB3' ' HA ' ' A' ' 496' ' ' LYS . . . -121.0 -55.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -55.89 114.97 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 505' ' ' GLY . 42.8 ttt85 -82.62 165.49 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 504' ' ' ARG . . . -81.69 40.99 2.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.89 143.44 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -145.52 149.88 22.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 465' ' ' LEU . 4.5 m-85 -108.57 129.35 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.59 121.51 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 62.5 t0 -105.95 144.07 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -113.91 163.43 15.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.735 HD13 ' HG2' ' A' ' 489' ' ' LYS . 49.4 mm -70.92 -38.57 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 69.1 p -132.77 -174.99 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -85.21 -44.41 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 515' ' ' GLN . 0.5 OUTLIER -44.94 -67.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 516' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 516' ' ' ASP . 0.4 OUTLIER -44.23 -50.72 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.52 -56.97 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -52.93 -65.07 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -40.2 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 523' ' ' ALA . . . -45.73 -58.85 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.411 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 43.2 t80 -40.32 -46.17 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -78.19 -29.72 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.549 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -72.03 -25.8 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 525' ' ' CYS . 97.0 mt -102.22 -57.13 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 36.4 t -37.08 -52.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 527' ' ' SER . 8.2 p-80 -35.97 -50.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 526' ' ' HIS . 3.0 m -173.84 109.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.3 m -124.48 128.88 49.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -123.49 129.58 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -142.69 114.54 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 73.8 m-85 63.24 40.65 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.79 17.01 70.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -124.38 164.47 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -105.9 149.19 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.89 129.68 55.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.414 HG12 ' HG3' ' A' ' 538' ' ' GLU . 83.9 t -88.48 127.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.9 mm? -99.21 116.71 32.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 536' ' ' VAL . 93.9 mt-10 -138.07 164.35 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.411 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 75.4 m95 -102.8 152.89 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -119.91 129.79 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.42 139.59 42.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 3.4 t -93.65 140.62 29.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.07 129.16 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.37 111.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 25.4 m -122.01 97.98 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 92.4 t -131.87 127.37 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -92.86 -52.07 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 17.3 m -45.08 148.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -130.69 82.04 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.7 44.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 m -113.14 -53.34 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 52.7 p -73.43 -50.1 23.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 4.8 m -166.4 120.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 29.2 t -128.94 143.54 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 153.49 84.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 23.7 p -97.15 14.24 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 m -97.22 133.13 42.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -158.13 -115.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -58.14 146.58 32.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.669 HG23 ' HD2' ' A' ' 456' ' ' PRO . 4.9 p -115.29 138.77 23.82 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 455' ' ' VAL . 53.5 Cg_endo -69.78 139.61 40.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.45 ' HD2' HG11 ' A' ' 544' ' ' VAL . 33.4 mttm -107.23 153.84 22.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -91.68 -1.69 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -60.57 174.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 85.4 m -118.0 128.73 55.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 15.2 t -95.41 160.12 14.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 15.2 p -130.56 86.08 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -139.87 120.31 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 482' ' ' PHE . 65.2 mt -93.14 119.19 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.4 tp -110.32 102.49 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 469' ' ' ILE . 5.9 p -86.58 112.93 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -106.22 166.18 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.08 45.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 466' ' ' VAL . 10.3 mt -88.43 136.1 31.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.66 -51.73 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -49.36 -24.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.52 135.89 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -130.67 165.36 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.702 ' HA ' HD22 ' A' ' 493' ' ' LEU . 33.7 tt0 -48.07 -47.31 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -60.23 -40.11 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.42 -47.42 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.26 -47.09 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 483' ' ' SER . 30.6 ttt180 -47.79 -49.64 28.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.2 -35.71 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.51 -46.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 509' ' ' VAL . 77.6 m-85 -89.98 -50.17 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 29.4 t -36.92 -40.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 88.3 m -46.05 -50.09 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 35.5 m-85 -60.98 -36.83 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.66 46.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.22 138.22 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 71.5 mt -104.25 158.97 16.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.589 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.9 mttt -91.31 -47.23 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -167.57 141.36 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 38.3 t -114.34 108.42 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -98.69 120.53 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 475' ' ' GLN . 2.5 mp -140.86 144.97 37.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.74 161.47 45.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -112.85 130.65 56.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -90.49 106.09 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 499' ' ' GLY . 20.0 mtm -100.67 168.4 9.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 498' ' ' THR . 96.1 m -64.72 74.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 86.87 -172.05 43.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.598 ' O ' HG22 ' A' ' 500' ' ' THR . 22.1 m 51.87 34.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 113.78 132.59 5.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -119.82 -176.28 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.7 t-80 -68.24 107.25 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.19 154.49 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.96 40.94 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.61 150.3 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -154.87 144.5 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.589 ' CE1' HD13 ' A' ' 465' ' ' LEU . 8.2 m-85 -104.21 128.94 51.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 482' ' ' PHE . 25.7 t -126.87 127.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.18 147.21 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.2 m-85 -114.21 155.52 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.589 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.4 mm -61.56 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 22.0 p -125.57 132.66 52.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 515' ' ' GLN . 7.3 mtpm? -39.57 -54.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 514' ' ' LYS . 45.8 mm-40 -34.76 -59.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 40.2 m-20 -51.31 -52.22 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -53.53 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -57.75 -66.15 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -44.2 -68.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -44.99 -64.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.657 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 15.0 t80 -35.78 -51.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.29 -52.0 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.78 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.9 mp -69.11 -57.65 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 524' ' ' LEU . 4.2 t -35.99 -32.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 524' ' ' LEU . 10.6 t-160 -57.86 -49.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 524' ' ' LEU . 3.6 m -170.19 109.4 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.473 HG22 HD12 ' A' ' 535' ' ' LEU . 7.3 m -124.4 111.01 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 1.4 m80 -115.68 125.61 53.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.5 tp -137.45 118.22 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.479 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 60.09 26.71 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.02 38.92 21.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -144.46 116.26 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.0 OUTLIER -68.98 103.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 528' ' ' THR . 43.4 mt -70.9 147.93 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.87 138.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.44 114.74 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -128.63 149.41 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.657 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 97.0 m95 -76.47 107.17 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -49.05 138.72 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -106.18 78.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 28.8 t -95.51 164.69 12.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -96.73 129.73 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.45 HG11 ' HD2' ' A' ' 457' ' ' LYS . 72.2 t -83.02 117.34 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 24.9 m -83.98 118.12 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.89 116.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.4 140.36 35.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 90.0 p -129.5 169.09 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 162.66 67.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.26 22.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.8 t -142.35 136.45 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 31.3 p -99.32 156.4 17.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 68.9 m -152.98 146.27 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 91.3 p -152.15 177.78 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -142.22 -169.55 12.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 74.1 p -165.22 170.73 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 14.1 m -152.21 156.49 39.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.99 167.81 39.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -115.53 156.84 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 455' ' ' VAL . 96.7 t -108.78 80.4 1.24 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.37 40.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -109.82 107.42 17.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.72 165.87 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -45.74 120.27 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.57 79.67 3.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 6.4 t -64.53 166.63 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 12.0 p -130.67 86.72 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 0.9 OUTLIER -146.72 113.03 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 482' ' ' PHE . 11.7 mt -93.66 107.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.2 tp -102.87 104.18 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 469' ' ' ILE . 1.1 p -90.84 129.76 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -114.87 175.74 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.8 t30 61.46 40.71 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.604 HG22 ' HB3' ' A' ' 473' ' ' ALA . 43.4 mt -87.1 134.89 35.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.73 146.95 61.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -53.95 -26.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -67.47 -38.62 84.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -54.49 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -129.02 157.05 42.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.425 ' HA ' HD13 ' A' ' 493' ' ' LEU . 38.6 tt0 -39.23 -40.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -46.17 74.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.87 -51.04 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.53 -48.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 491' ' ' VAL . 14.4 ttt180 -47.69 -50.03 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -31.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.7 -39.93 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 464' ' ' ILE . 52.2 m-85 -96.81 -47.08 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 19.8 m -43.48 -43.49 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 485' ' ' PHE . 15.2 t -43.54 -37.56 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.664 ' CE1' HD11 ' A' ' 524' ' ' LEU . 46.9 m-85 -73.06 -39.45 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.69 -176.33 41.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.23 135.16 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 57.7 mt -104.36 156.72 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.7 mtpt -90.58 -48.8 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.8 t -173.03 131.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 479' ' ' ARG . 25.2 t -100.24 127.32 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 492' ' ' ARG . 4.6 mmm180 -118.21 129.57 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.3 mp -139.24 141.03 27.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.484 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 53.9 Cg_endo -69.75 116.14 4.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.352 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -125.0 110.18 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -95.36 108.31 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.5 ttt -78.16 66.02 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 62.07 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 78.15 -101.36 1.71 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.1 m -59.06 -22.92 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 85.3 110.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -107.14 129.5 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.9 t-80 -114.85 125.15 53.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.547 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 4.4 mmm180 -71.34 162.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -91.23 56.35 3.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.607 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -161.2 142.4 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -150.03 144.97 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.477 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 64.0 m-85 -106.5 132.03 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 89.1 t -127.26 124.72 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.62 140.14 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 9.6 m-85 -112.2 144.46 41.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.5 mm -48.77 -51.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 58.3 p -122.76 168.36 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 515' ' ' GLN . 50.8 mttp -68.09 -58.69 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 514' ' ' LYS . 33.0 mt-30 -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -51.83 -47.18 64.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.0 -60.71 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -52.24 -46.19 65.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -51.65 -58.55 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -67.3 -62.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.658 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 4.9 t80 -38.36 -40.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -74.24 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.81 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.5 mp -68.21 -56.92 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -38.23 -39.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -50.47 -52.67 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.8 m -170.83 105.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m -123.49 128.56 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.64 138.27 54.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.4 tp -146.26 116.17 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 87.3 m-85 58.59 32.39 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.57 20.6 76.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -123.85 126.76 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -77.03 107.79 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.07 144.92 42.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.22 117.33 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.2 mp -97.69 118.91 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -138.17 139.83 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.658 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 96.1 m95 -67.12 120.53 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -56.19 136.44 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -89.89 101.12 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.0 t -107.96 152.5 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -106.03 138.06 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -79.71 97.27 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.7 p -81.46 168.44 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.56 177.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -160.0 129.18 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 12.0 t -121.39 108.93 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 147.89 86.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.01 8.7 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.708 2.272 . . . . 0.0 112.285 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.7 t -100.74 147.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.0 p -160.81 164.82 31.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 87.8 p -103.13 135.19 45.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 28.6 p -105.55 -57.11 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 96.22 131.97 6.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.442 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 2.3 t -83.61 47.74 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 1.5 t 65.34 41.9 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 81.61 -82.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -155.95 165.1 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.7 m -48.25 144.57 6.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.82 63.8 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.653 2.236 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -92.34 134.93 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -73.61 -28.12 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -99.2 118.59 36.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 59.0 m -67.74 82.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 9.0 t -65.5 157.35 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.3 p -127.59 86.8 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -146.39 125.49 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 93.2 mt -108.08 118.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.649 ' HB2' ' HB2' ' A' ' 540' ' ' ALA . 13.7 tp -109.77 103.31 12.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 469' ' ' ILE . 1.7 p -86.34 123.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -111.91 174.62 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 27.6 t30 64.33 32.45 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.764 HD11 HG13 ' A' ' 466' ' ' VAL . 59.3 mt -78.82 132.53 64.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.751 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.71 178.64 4.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -72.03 -53.7 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -46.62 -46.96 20.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -39.13 124.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.22 169.58 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 493' ' ' LEU . 24.8 tt0 -47.23 -44.59 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -61.39 -47.17 87.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -49.56 -55.94 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.37 -40.82 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.57 ' HD2' HG21 ' A' ' 491' ' ' VAL . 2.3 tpt180 -43.61 -66.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 481' ' ' LEU . 32.7 mm-40 -65.48 -44.71 86.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 480' ' ' GLU . 14.7 tp -36.49 -44.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 509' ' ' VAL . 73.8 m-85 -96.54 -49.11 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 482' ' ' PHE . 8.1 t -37.79 -40.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 96.9 m -50.52 -47.3 57.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.427 ' CB ' ' HB2' ' A' ' 520' ' ' ALA . 28.2 m-85 -64.26 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 516' ' ' ASP . . . -175.29 177.37 47.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.52 141.06 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 78.0 mt -107.43 158.94 16.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.71 ' CG ' HD13 ' A' ' 512' ' ' ILE . 5.0 mtmp? -98.39 -40.48 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 3.9 t -167.75 134.53 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.57 HG21 ' HD2' ' A' ' 479' ' ' ARG . 12.7 t -111.46 106.34 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -103.43 130.21 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp -141.0 145.32 38.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.76 116.03 4.37 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -116.59 130.22 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -56.9 123.54 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 498' ' ' THR . 6.5 tpt -86.92 102.21 14.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 497' ' ' MET . 48.1 p 34.41 40.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 104.3 -65.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 31.7 m -45.88 108.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 86.03 138.14 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -119.83 156.48 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.8 OUTLIER -61.18 123.04 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.495 ' HB3' ' CD1' ' A' ' 506' ' ' PHE . 31.6 ttm180 -96.52 167.85 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.96 69.8 3.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 504' ' ' ARG . 1.7 p90 -163.93 128.83 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -136.68 145.64 17.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.62 117.33 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.515 HG21 ' CE2' ' A' ' 482' ' ' PHE . 57.0 t -120.12 123.69 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -109.66 140.7 43.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -110.53 157.51 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.71 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.9 mm -66.41 -34.23 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 21.0 p -138.69 165.23 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -71.65 -45.43 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.57 -61.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' ASP . . . . . 0.426 ' CG ' ' HA3' ' A' ' 486' ' ' GLY . 3.2 t70 -56.39 -40.93 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.94 -48.12 79.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.48 -60.57 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -39.79 -62.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 485' ' ' PHE . . . -59.73 -45.95 90.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.574 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 67.2 t80 -48.41 -55.82 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.62 -50.48 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.46 -56.32 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 525' ' ' CYS . 85.8 mt -73.46 -48.86 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 4.8 t -38.0 -48.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 525' ' ' CYS . 21.5 t-80 -35.91 -62.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 m -167.68 116.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 2.3 m -126.35 105.47 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.47 117.81 32.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.3 tp -130.36 114.88 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.499 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 60.5 m-85 61.51 32.86 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.09 37.31 38.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -144.87 137.27 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -92.04 105.51 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.9 mt -68.94 161.62 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.8 110.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.19 120.2 32.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -141.45 147.47 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.574 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 79.2 m95 -70.01 97.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 465' ' ' LEU . . . -39.93 154.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.62 125.19 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 26.9 t -90.27 133.52 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.37 125.69 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.7 137.38 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.0 t -129.7 142.89 50.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.6 m -138.94 164.62 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -138.95 113.02 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.6 m -105.91 99.83 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -72.4 156.5 52.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.71 37.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.4 t -120.15 108.53 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 80.4 p -137.15 142.59 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 10.8 t -173.64 114.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 19.7 m -162.12 161.77 28.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.815 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 165.41 103.45 0.17 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 19.9 m -141.8 166.81 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 m -158.34 145.02 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -138.1 176.37 20.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -106.36 128.35 53.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.7 m -93.57 146.28 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 115.94 4.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -81.53 112.09 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -71.35 -47.1 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.39 156.61 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 12.2 p -85.13 112.25 20.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.9 t -86.2 130.34 34.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 93.6 p -92.07 86.81 5.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -146.62 113.26 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 511' ' ' PHE . 79.5 mt -108.83 120.46 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -113.05 114.04 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -95.19 130.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -120.67 168.0 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 14.2 t30 66.18 41.55 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 466' ' ' VAL . 43.4 mt -86.37 137.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.1 Cg_endo -69.71 163.53 37.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.22 . . . . 0.0 112.384 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.27 -43.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.09 -33.82 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -74.5 135.94 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -131.36 174.75 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.429 ' HA ' HD13 ' A' ' 493' ' ' LEU . 35.5 tt0 -44.22 -48.81 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -46.32 -46.65 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.548 HG13 HD21 ' A' ' 493' ' ' LEU . 50.1 mm -63.88 -54.0 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -43.71 -54.21 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.15 -39.93 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.3 tp -48.19 -52.84 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 488' ' ' LEU . 67.8 m-85 -82.45 -48.12 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 482' ' ' PHE . 40.4 t -37.25 -35.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 60.3 m -56.3 -46.75 79.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.485 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 54.2 m-85 -67.54 -31.88 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 177.71 166.74 34.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.84 137.6 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 482' ' ' PHE . 48.9 mt -106.31 158.43 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 512' ' ' ILE . 51.3 mttm -88.06 -44.39 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.8 t -174.0 148.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 97.5 t -120.54 122.82 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -116.48 111.92 20.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp -130.39 143.61 49.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 506' ' ' PHE . 53.3 Cg_endo -69.8 139.96 41.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -120.92 115.81 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.456 ' HD3' ' C ' ' A' ' 502' ' ' ALA . 19.5 tttp -105.0 144.57 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.453 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 6.4 mmm -69.53 160.27 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 43.7 p -68.94 111.33 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 179.18 -150.47 9.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.3 m -54.6 102.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLY . . . . . 0.436 ' C ' ' HE2' ' A' ' 496' ' ' LYS . . . 86.4 -175.19 47.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.456 ' C ' ' HD3' ' A' ' 496' ' ' LYS . . . -125.36 -174.94 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.84 170.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -79.52 139.66 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.1 73.43 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -163.73 132.63 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.899 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.53 139.89 8.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 465' ' ' LEU . 44.9 m-85 -102.12 133.63 46.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 61.2 t -127.07 138.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.37 142.85 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.57 ' HE2' HD12 ' A' ' 464' ' ' ILE . 13.7 m-85 -113.04 156.33 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.5 mm -68.96 -43.46 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.0 p -120.42 173.78 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -34.03 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -59.42 -46.39 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -46.39 78.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.73 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -56.41 -51.69 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -48.47 -54.46 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.546 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 17.8 t80 -57.78 -58.47 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.15 -48.31 76.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -48.13 -56.78 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 525' ' ' CYS . 92.3 mt -72.36 -56.63 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 524' ' ' LEU . 26.4 t -34.28 -53.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -37.65 -65.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.0 t -152.71 109.35 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.48 120.11 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -117.57 128.95 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.8 tp -143.01 112.4 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.0 m-85 63.06 35.64 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.23 67.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.15 140.22 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -85.98 147.87 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 19.9 mt -111.33 132.62 54.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.19 111.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.0 mp -98.36 118.57 35.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -138.56 146.15 41.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.546 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 89.1 m95 -72.28 103.07 3.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.06 147.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -59.61 131.47 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 54.6 m -71.64 118.64 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.06 133.64 45.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 544' ' ' VAL . 14.4 p -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 546' ' ' VAL . 2.5 t -138.31 109.57 6.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 545' ' ' THR . 34.2 m 35.83 39.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -101.75 109.69 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 10.4 t -132.05 -44.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 83.24 83.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.96 55.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.381 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.6 m -97.87 -61.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 80.8 p -67.97 172.63 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.3 t -157.11 126.84 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 30.1 t -123.78 126.45 46.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 123.85 133.82 4.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.561 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 31.0 t -127.69 -52.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.9 m -61.9 101.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -175.97 43.78 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -112.17 94.58 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 15.3 m -127.4 144.66 51.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 166.4 27.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -108.28 -53.19 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -70.12 -51.43 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -59.29 149.26 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 22.2 m -140.01 108.3 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.7 t -91.95 148.97 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 99.3 p -111.91 86.29 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -145.92 131.42 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.818 HD12 ' CE1' ' A' ' 511' ' ' PHE . 59.3 mt -110.12 109.12 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -103.61 109.17 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.965 HG13 HD11 ' A' ' 469' ' ' ILE . 3.2 p -94.47 136.52 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -121.31 166.34 14.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 50.7 t30 70.39 32.36 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.965 HD11 HG13 ' A' ' 466' ' ' VAL . 62.7 mt -75.65 129.92 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.68 43.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 0.0 112.368 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' PHE . . . . . 0.416 ' HD1' ' HB1' ' A' ' 502' ' ' ALA . 13.8 t80 -44.98 -32.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.74 -43.18 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.64 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -56.46 130.66 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -129.07 170.7 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.696 ' N ' HD22 ' A' ' 493' ' ' LEU . 25.5 mt-30 -40.09 -51.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 477' ' ' GLU . 34.3 ttt180 -52.27 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 476' ' ' ARG . 1.0 OUTLIER -34.71 -52.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 31.5 mm -61.7 -50.38 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.464 ' HG3' HG21 ' A' ' 491' ' ' VAL . 42.1 ttt180 -48.24 -57.68 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.69 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.2 tp -48.28 -53.95 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 524' ' ' LEU . 81.4 m-85 -86.39 -49.87 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 45.7 t -38.51 -34.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 56.8 m -52.99 -46.83 68.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -64.43 -40.79 96.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -173.32 177.4 45.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.81 141.8 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.374 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 61.8 mt -106.69 159.26 16.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.992 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.4 mmtt -93.86 -45.23 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.0 t -169.71 139.58 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.0 t -108.27 107.32 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -101.85 125.17 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 475' ' ' GLN . 4.1 mp -135.11 143.14 44.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.9 Cg_endo -69.74 153.57 68.88 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -123.96 138.77 54.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -90.46 162.96 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 499' ' ' GLY . 3.7 mpp? -101.11 119.8 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 35.0 m -41.14 94.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 179.15 -96.2 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 29.2 m -134.02 125.11 27.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 102.52 147.49 19.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.416 ' HB1' ' HD1' ' A' ' 471' ' ' PHE . . . -99.07 175.75 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.576 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.0 OUTLIER -58.09 163.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -66.94 143.85 56.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.28 63.18 3.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 1.0 OUTLIER -159.47 151.09 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -147.2 147.8 18.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.822 ' CE1' HD13 ' A' ' 465' ' ' LEU . 7.5 m-85 -113.21 123.06 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 67.6 t -123.57 118.57 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -99.21 145.56 27.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.818 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.8 m-85 -115.24 160.01 20.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.992 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.5 mm -70.05 -37.8 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 76.2 p -137.71 -176.16 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -85.01 -39.16 18.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -46.43 -65.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.45 -44.76 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -46.95 -61.42 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -60.01 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -38.15 -55.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.08 -59.68 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.684 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 7.0 t80 -36.8 -56.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -65.34 -45.72 83.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.44 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 482' ' ' PHE . 81.6 mt -83.52 -55.68 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 6.8 t -34.67 -47.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -41.73 -64.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 t -160.72 105.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.1 m -122.9 124.02 42.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -120.23 131.34 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 9.6 tp -140.67 131.04 25.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 46.11 28.14 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.9 29.4 42.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -137.01 135.88 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -86.98 110.88 20.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 65.2 mt -74.32 148.97 40.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.11 131.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.7 mm? -100.96 115.18 29.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.68 136.4 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.684 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 82.3 m95 -76.08 122.93 24.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -53.12 126.19 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.61 109.49 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 54.7 p -83.72 150.5 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -87.74 130.82 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 546' ' ' VAL . 7.3 p -109.05 138.61 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 41.0 p -129.42 45.45 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 544' ' ' VAL . 84.2 t -94.27 122.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -92.11 141.89 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 95.8 p -93.83 163.94 13.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -165.14 153.68 23.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 149.04 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.3 p -168.66 154.94 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 33.5 m -141.71 119.57 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 47.0 t -133.17 127.77 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 68.23 131.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 452' ' ' SER . 32.8 m -83.4 39.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 451' ' ' SER . 97.8 p 37.78 51.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -123.57 71.77 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -105.22 28.47 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.92 140.53 37.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.57 56.45 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -66.91 156.2 36.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -117.5 -40.96 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -79.34 148.81 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 9.1 m -97.8 89.19 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' THR . . . . . 0.419 HG21 ' HB2' ' A' ' 542' ' ' SER . 3.1 t -89.64 163.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 17.2 p -128.58 85.95 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.436 ' HE3' ' CB ' ' A' ' 540' ' ' ALA . 20.2 ttpt -143.24 112.21 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 511' ' ' PHE . 40.8 mt -89.34 117.89 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 507' ' ' GLY . 12.3 tp -112.2 100.98 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 469' ' ' ILE . 6.3 p -83.92 124.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -116.29 171.42 7.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.03 35.27 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 466' ' ' VAL . 75.5 mt -75.28 138.06 71.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.75 165.9 29.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -68.91 -37.04 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.91 -42.02 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -55.23 135.45 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.02 176.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -55.07 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -50.41 -44.44 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.93 -58.98 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 493' ' ' LEU . 33.9 mm -53.62 -43.83 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.458 ' O ' ' CD1' ' A' ' 488' ' ' LEU . 23.7 ttp180 -52.28 -65.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.49 -30.96 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 30.4 tp -53.31 -48.96 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 45.6 m-85 -85.27 -34.05 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 488' ' ' LEU . 4.0 p -51.05 -37.51 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 87.4 m -51.94 -23.62 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 524' ' ' LEU . 83.3 m-85 -89.78 -42.37 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.41 40.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.38 133.1 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 482' ' ' PHE . 49.5 mt -104.62 146.47 28.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.666 ' HG3' HD13 ' A' ' 512' ' ' ILE . 55.3 mttt -82.15 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 15.2 t -157.16 145.31 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 23.0 t -114.25 135.69 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -122.8 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 478' ' ' ILE . 2.6 mp -140.96 149.2 55.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.478 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.78 139.69 40.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -97.05 135.57 38.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.719 ' HA ' ' HB1' ' A' ' 502' ' ' ALA . 17.7 mmmt -49.66 106.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 13.0 mtm -108.54 144.38 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 13.1 t -49.45 163.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 75.76 165.46 17.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 51.3 p -57.62 124.03 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 111.174 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 92.82 74.71 1.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.719 ' HB1' ' HA ' ' A' ' 496' ' ' LYS . . . -88.42 -74.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.5 t-80 -104.81 105.96 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.67 171.05 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -101.85 63.85 0.49 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 0.2 OUTLIER -159.99 124.0 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -137.73 149.61 20.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.442 ' CE1' HD13 ' A' ' 465' ' ' LEU . 56.7 m-85 -105.55 132.37 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.43 ' CG1' HD22 ' A' ' 488' ' ' LEU . 50.6 t -127.36 112.53 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -96.09 142.01 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.724 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 13.9 m-85 -111.69 151.95 28.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.666 HD13 ' HG3' ' A' ' 489' ' ' LYS . 45.0 mm -62.04 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 54.4 p -127.93 137.42 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -45.47 -42.82 10.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 518' ' ' LYS . 15.4 mm100 -53.21 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.29 -44.44 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -65.05 -37.01 86.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 515' ' ' GLN . 28.3 mttm -69.82 -61.41 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 7.1 ptmt -49.79 -39.25 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -69.99 -57.91 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 9.9 t80 -37.88 -53.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.2 OUTLIER -65.87 -46.46 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.427 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -49.93 -51.73 38.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 485' ' ' PHE . 7.4 mp -76.67 -55.21 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 35.4 t -40.38 -48.24 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -38.2 -57.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.3 p -173.62 105.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 30.5 m -122.07 122.37 39.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.465 ' CE1' ' HE ' ' A' ' 534' ' ' ARG . 1.5 m80 -111.04 118.9 37.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.4 tp -129.94 114.61 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.502 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.9 m-85 57.33 39.91 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.14 36.11 84.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -143.67 146.39 33.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.465 ' HE ' ' CE1' ' A' ' 529' ' ' HIS . 13.3 tpp85 -98.3 121.01 39.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 466' ' ' VAL . 71.3 mt -85.85 143.65 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.4 t -97.85 127.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 2.1 mm? -99.91 116.06 31.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -129.52 157.98 40.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.493 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 94.8 m95 -100.57 98.25 8.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ALA . . . . . 0.436 ' CB ' ' HE3' ' A' ' 463' ' ' LYS . . . -35.34 145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.03 109.99 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 461' ' ' THR . 8.7 t -73.44 117.95 15.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.04 132.48 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 1.6 t -114.84 126.85 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 25.8 p -93.6 119.78 33.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 3.3 p -167.43 145.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -147.92 132.65 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 6.4 t -64.72 169.04 5.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.29 88.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.12 34.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 75.1 m -78.29 178.53 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 16.8 t -128.21 179.59 5.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 86.6 p -169.44 143.67 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 23.0 t -146.88 122.29 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -167.78 106.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 8.6 t -172.64 156.94 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 55.6 p -147.15 172.43 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 172.94 68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -155.99 140.96 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 98.2 t -128.76 81.96 69.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.737 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -32.37 18.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.0 147.22 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.97 -59.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -135.65 169.64 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 21.0 m -125.13 130.45 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.1 t -111.24 150.98 28.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 14.0 p -104.72 86.08 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.4 mtmm -146.68 120.69 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 482' ' ' PHE . 78.0 mt -104.44 109.05 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.13 98.47 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.759 HG13 HD11 ' A' ' 469' ' ' ILE . 4.9 p -83.94 110.03 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' ARG . . . . . 0.867 HH12 HG11 ' A' ' 536' ' ' VAL . 5.4 ttp-105 -101.31 164.82 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 15.0 t30 71.31 43.0 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.759 HD11 HG13 ' A' ' 466' ' ' VAL . 81.9 mt -83.75 134.03 45.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 54.1 Cg_endo -69.73 160.53 49.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -54.36 -51.11 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -54.45 -49.56 69.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -50.19 107.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -115.71 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' A' ' 493' ' ' LEU . 12.9 tp60 -40.01 -66.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 477' ' ' GLU . 7.2 ttm105 -44.72 -61.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 476' ' ' ARG . 23.5 mm-40 -34.43 -54.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 493' ' ' LEU . 4.1 mm -63.7 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.493 ' O ' HD11 ' A' ' 488' ' ' LEU . 17.2 ttp180 -36.53 -64.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 481' ' ' LEU . 9.3 pt-20 -63.83 -49.25 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 480' ' ' GLU . 16.4 tp -35.35 -43.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 509' ' ' VAL . 46.7 m-85 -94.58 -42.58 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.0 t -40.7 -42.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 62.3 m -40.37 -47.73 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 520' ' ' ALA . 49.4 m-85 -65.57 -42.88 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -177.78 175.56 47.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.46 143.01 54.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 479' ' ' ARG . 36.6 mt -107.63 153.77 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.767 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.1 OUTLIER -81.73 -53.15 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 11.4 t -168.9 135.54 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 71.8 t -100.81 135.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -128.37 123.04 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 478' ' ' ILE . 4.2 mp -135.77 143.68 45.63 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.43 28.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -124.19 116.88 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.453 ' CE ' ' HA3' ' A' ' 499' ' ' GLY . 17.9 ttpt -91.87 157.97 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -123.57 -33.29 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 1.7 t -80.58 6.34 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.453 ' HA3' ' CE ' ' A' ' 496' ' ' LYS . . . -127.79 147.1 17.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 500' ' ' THR . 1.7 t -75.71 60.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 82.73 47.65 5.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -121.78 94.72 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.59 165.02 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -80.37 134.59 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -67.92 71.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 506' ' ' PHE . 2.0 p90 -164.69 123.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.65 146.58 17.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.63 128.03 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 482' ' ' PHE . 79.0 t -118.34 132.15 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.31 142.01 47.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -114.51 164.67 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.767 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.4 mm -77.43 -36.09 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.9 p -133.72 146.21 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 517' ' ' ALA . 24.6 mtpp -51.31 -52.15 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 514' ' ' LYS . 39.7 mt-30 -35.91 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -44.06 -38.37 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 514' ' ' LYS . . . -66.77 -40.66 88.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.2 -50.26 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 14.0 ptpt -67.23 -36.62 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -61.91 -55.99 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 525' ' ' CYS . 9.4 t80 -61.34 -52.74 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -54.65 -28.72 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 485' ' ' PHE . . . -81.57 -56.91 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.526 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.9 mp -64.23 -56.06 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 521' ' ' PHE . 4.4 p -46.33 -27.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.74 -45.41 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.1 t -174.27 108.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 96.2 m -125.22 125.43 43.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -119.67 119.49 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 16.3 tp -135.25 114.54 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.519 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 65.1 m-85 55.89 48.48 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 59.95 36.73 91.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -140.18 154.69 47.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -106.88 100.77 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.34 149.35 42.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.867 HG11 HH12 ' A' ' 467' ' ' ARG . 24.4 t -102.97 121.84 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 3.4 mm? -97.74 123.64 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -149.88 131.06 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -73.13 108.43 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -43.2 158.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -106.31 130.96 54.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 36.6 p -61.73 120.28 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -104.66 154.43 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 11.7 m -62.56 136.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 76.4 m -124.27 121.97 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.69 176.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -163.69 116.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 51.7 p -89.69 117.13 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -66.34 145.83 47.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.9 67.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.6 m -95.87 142.0 28.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 t -96.48 137.5 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 t 48.6 41.9 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 2.3 m -154.61 145.1 22.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 80.23 -66.81 3.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 68.2 m 59.17 38.23 23.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 95.8 p -121.31 90.59 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -81.27 -169.87 42.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -75.32 106.43 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.29 143.44 39.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 170.99 15.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 17.09 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -46.38 -46.57 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -146.36 165.48 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 20.3 p -95.3 120.02 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 6.5 t -96.13 153.68 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.0 m -119.68 91.08 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -141.99 110.69 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.644 HD12 ' CE1' ' A' ' 511' ' ' PHE . 55.3 mt -104.93 114.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.723 HD13 ' CE1' ' A' ' 508' ' ' PHE . 17.1 tp -108.3 106.31 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.725 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -91.36 120.54 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -111.54 173.02 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 19.9 t30 58.8 45.31 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.725 HD11 HG13 ' A' ' 466' ' ' VAL . 73.3 mt -86.97 135.39 35.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.76 148.13 64.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.52 -38.25 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.78 -49.81 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -54.11 123.33 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -114.51 176.95 4.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD22 ' A' ' 493' ' ' LEU . 4.8 tt0 -48.0 -52.13 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -52.19 -55.94 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -44.1 -51.4 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.29 -51.88 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.408 ' HG3' HG21 ' A' ' 491' ' ' VAL . 34.4 ttp85 -47.25 -49.08 24.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 481' ' ' LEU . 5.4 pt-20 -74.09 -33.33 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 480' ' ' GLU . 12.4 tp -59.0 -35.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 488' ' ' LEU . 68.4 m-85 -97.94 -41.52 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 486' ' ' GLY . 47.7 t -46.82 -48.96 20.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 9.9 t -39.18 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 524' ' ' LEU . 57.3 m-85 -85.94 -40.5 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 486' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -177.24 177.27 48.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.68 134.81 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 482' ' ' PHE . 80.4 mt -104.91 137.83 42.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 512' ' ' ILE . 32.4 mttt -67.93 -49.53 61.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 13.0 t -172.41 136.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.441 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.9 t -99.89 134.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -124.32 125.63 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 475' ' ' GLN . 4.1 mp -140.53 144.42 36.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 506' ' ' PHE . 54.2 Cg_endo -69.77 117.75 5.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 108.35 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.656 ' HG2' ' HB3' ' A' ' 502' ' ' ALA . 3.5 tppp? -89.01 132.6 34.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.507 ' O ' ' C ' ' A' ' 498' ' ' THR . 0.0 OUTLIER -102.57 -178.28 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 498' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 498' ' ' THR . 2.5 t 29.17 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 497' ' ' MET . . . -136.74 -163.72 9.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 500' ' ' THR . 9.0 t -123.98 60.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 67.44 69.46 1.36 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.656 ' HB3' ' HG2' ' A' ' 496' ' ' LYS . . . -106.31 44.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.64 109.16 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 149.32 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -76.07 67.59 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 494' ' ' PRO . 2.1 p90 -157.53 140.65 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.416 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -156.32 150.34 21.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.723 ' CE1' HD13 ' A' ' 465' ' ' LEU . 17.2 m-85 -114.02 139.19 49.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 482' ' ' PHE . 22.5 t -132.88 124.51 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -110.91 141.07 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 464' ' ' ILE . 21.3 m-85 -111.56 162.47 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.607 HD13 ' HG2' ' A' ' 489' ' ' LYS . 34.0 mm -73.44 -43.92 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 18.2 p -113.07 -179.38 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -43.44 11.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -52.4 -62.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -48.1 -37.3 14.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.79 75.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -76.65 -57.03 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 1.9 ptpp? -54.25 -37.12 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -73.69 -55.37 6.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 539' ' ' TRP . 22.3 t80 -44.63 -54.29 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.6 OUTLIER -70.24 -44.34 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -46.13 -54.14 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.0 mp -77.05 -54.39 6.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 37.6 t -34.57 -53.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -37.49 -65.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 88.5 p -155.06 107.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.0 m -125.68 106.43 9.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -106.96 120.72 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.1 tp -133.99 122.13 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.445 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 54.53 33.77 19.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.46 36.33 49.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -140.99 145.19 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.67 99.2 10.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.18 144.94 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.77 125.51 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.05 127.12 51.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.15 146.3 40.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.479 ' CD1' ' CZ ' ' A' ' 521' ' ' PHE . 96.4 m95 -78.26 100.58 6.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.84 143.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.76 131.37 39.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 43.7 p -109.36 156.91 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -53.18 140.5 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.49 135.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.546 HG23 ' H ' ' A' ' 547' ' ' GLN . 8.8 t -119.79 -27.85 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 546' ' ' VAL . 15.0 p 35.39 43.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLN . . . . . 0.546 ' H ' HG23 ' A' ' 545' ' ' THR . 20.1 tm0? -67.46 137.96 56.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 38.1 t -170.08 157.48 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -145.3 81.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.73 29.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.1 m 38.47 43.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 19.5 m -150.87 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.1 t -98.96 135.85 39.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.829 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 10.6 m -83.88 -50.62 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -161.6 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 54.3 p -125.68 139.54 53.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 98.3 p -120.13 94.4 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -130.27 96.74 0.37 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -95.36 124.5 39.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 49.1 t -107.45 81.73 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 92.23 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.58 109.36 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -69.2 -49.13 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.24 73.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 30.2 m -57.94 141.87 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.1 t -129.98 148.73 51.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 73.9 p -125.76 86.14 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.55 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 16.1 ttmm -139.14 117.02 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 482' ' ' PHE . 96.7 mt -94.13 110.94 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.16 101.83 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.998 HG13 HD11 ' A' ' 469' ' ' ILE . 7.3 p -87.87 126.49 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -115.5 166.15 12.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.7 t30 69.63 34.18 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.998 HD11 HG13 ' A' ' 466' ' ' VAL . 75.3 mt -75.66 134.47 72.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 139.95 41.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 471' ' ' PHE . 6.9 t80 -48.4 -42.21 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -55.64 -38.4 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -66.03 141.61 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -132.42 -179.44 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 493' ' ' LEU . 34.0 tt0 -47.27 -54.38 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -53.58 -54.34 38.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -41.86 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.1 mm -61.85 -47.88 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.577 ' HG3' HG21 ' A' ' 491' ' ' VAL . 24.2 mtp180 -42.47 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.88 -35.81 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.65 -43.62 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 464' ' ' ILE . 80.4 m-85 -95.69 -52.18 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 482' ' ' PHE . 3.0 p -36.48 -31.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 482' ' ' PHE . 77.8 m -54.64 -48.49 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.5 ' CE1' HD21 ' A' ' 524' ' ' LEU . 42.0 m-85 -64.7 -43.65 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -166.4 174.27 41.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.78 140.47 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.3 mt -107.2 163.34 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.688 ' HG2' HD13 ' A' ' 512' ' ' ILE . 15.5 mttm -97.22 -50.62 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.8 t -173.87 131.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.577 HG21 ' HG3' ' A' ' 479' ' ' ARG . 56.3 t -102.73 127.55 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -115.71 124.65 51.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 475' ' ' GLN . 2.6 mp -140.39 143.88 34.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.728 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 132.74 23.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 0.0 112.361 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -99.14 131.39 45.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -66.77 141.26 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 63.9 mmm -120.64 156.09 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 70.5 p -66.53 -41.36 88.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -87.93 -96.68 0.94 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 75.8 p -110.68 151.19 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 95.5 96.85 1.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -113.49 158.38 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.13 109.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -77.67 164.42 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.65 61.23 4.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -162.8 138.18 6.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.02 145.92 17.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.55 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 25.6 m-85 -106.08 125.73 51.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.48 130.79 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -114.68 144.94 42.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.422 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.2 m-85 -113.99 160.52 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.688 HD13 ' HG2' ' A' ' 489' ' ' LYS . 48.4 mm -70.6 -45.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 68.5 p -125.73 137.62 53.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -44.7 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -52.49 -59.34 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -48.49 -40.94 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.78 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -49.88 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -51.08 -58.65 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -54.79 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.5 t80 -40.49 -40.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -58.7 -46.97 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 485' ' ' PHE . 4.4 mm? -54.58 -59.15 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 526' ' ' HIS . 45.9 t -41.72 -53.14 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 525' ' ' CYS . 34.5 t-80 -36.62 -57.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 59.9 p -169.83 114.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 535' ' ' LEU . 22.6 m -125.43 105.76 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.56 118.48 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.2 tp -130.69 121.86 26.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.2 m-85 52.03 49.98 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 58.33 35.87 80.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -141.01 155.02 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -102.58 120.27 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 528' ' ' THR . 87.8 mt -86.52 154.49 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.24 129.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.08 125.88 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.68 133.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -67.29 115.77 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -52.81 145.18 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.75 127.71 35.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 46.6 t -106.39 138.42 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.64 127.36 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 6.1 m -63.56 138.85 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 74.6 p -104.69 168.79 8.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.98 158.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -130.44 101.32 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 93.6 p -148.33 142.45 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 141.26 74.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.44 12.66 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.662 2.242 . . . . 0.0 112.346 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 53.2 p -146.21 141.03 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -48.01 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.546 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 46.9 t -136.23 137.02 40.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 13.2 t -63.98 -57.48 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 146.74 151.46 5.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 47.6 m -160.69 131.18 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.6 m -127.13 148.95 50.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -99.76 164.11 19.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -150.3 117.22 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.86 141.63 24.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -11.6 31.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.451 ' NZ ' HG23 ' A' ' 544' ' ' VAL . 0.1 OUTLIER -121.33 142.06 50.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -97.38 36.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -142.99 127.69 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 6.8 m -78.76 98.68 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.8 t -112.54 151.26 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 514' ' ' LYS . 19.8 p -107.42 86.1 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' ' 540' ' ' ALA . 8.1 tppt? -145.43 138.9 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.668 HG21 ' CE1' ' A' ' 482' ' ' PHE . 63.7 mt -119.97 115.54 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.697 HD13 ' CE1' ' A' ' 508' ' ' PHE . 10.8 tp -110.39 107.91 17.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.882 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -93.55 119.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -106.29 167.5 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.8 t30 68.23 39.83 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.882 HD11 HG13 ' A' ' 466' ' ' VAL . 96.9 mt -83.85 130.72 54.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' PHE . 53.7 Cg_endo -69.79 132.34 23.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' PRO . 10.8 t80 -37.59 -46.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -49.9 -47.68 52.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -48.79 138.93 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -129.84 163.77 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -47.31 -35.52 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -65.92 -53.17 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -48.88 -49.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 13.6 mm -64.38 -47.42 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.451 ' HA ' HG21 ' A' ' 491' ' ' VAL . 8.7 ttp85 -44.12 -60.85 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.65 -31.01 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.43 -39.11 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 464' ' ' ILE . 40.5 m-85 -94.93 -52.43 4.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 486' ' ' GLY . 7.4 p -43.95 -46.63 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 483' ' ' SER . 9.0 t -38.03 -34.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' A' ' 523' ' ' ALA . 32.3 m-85 -78.14 -43.09 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 486' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -165.49 -169.48 29.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.467 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.05 134.86 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 511' ' ' PHE . 34.3 mt -107.23 145.9 32.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.631 ' CG ' HD13 ' A' ' 512' ' ' ILE . 33.2 mttt -80.25 -50.15 10.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 5.2 t -173.78 132.74 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.453 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.5 t -99.05 126.93 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -115.41 112.24 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.453 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.3 mp -139.27 141.21 28.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 151.86 68.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 140.33 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.89 ' HA ' ' HB3' ' A' ' 502' ' ' ALA . 13.6 tmtt? -69.2 108.41 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.04 -50.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 33.8 p -50.32 173.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -42.79 -69.86 0.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 56.8 m -146.09 135.17 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 73.31 88.27 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.89 ' HB3' ' HA ' ' A' ' 496' ' ' LYS . . . -122.7 -64.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.431 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 0.7 OUTLIER -55.3 114.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -88.7 158.54 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.37 60.84 2.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.524 ' O ' ' CD1' ' A' ' 506' ' ' PHE . 1.7 p90 -158.23 127.84 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.79 144.47 15.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.697 ' CE1' HD13 ' A' ' 465' ' ' LEU . 29.9 m-85 -107.75 131.15 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.31 132.43 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -111.95 134.73 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.8 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 9.0 m-85 -107.88 163.08 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.631 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.6 mm -65.69 -43.54 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' THR . . . . . 0.428 HG23 ' OD2' ' A' ' 516' ' ' ASP . 0.0 OUTLIER -142.05 157.1 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 514' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 462' ' ' SER . 25.4 mttm -57.92 -36.46 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.17 -48.3 65.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 513' ' ' THR . 54.6 m-20 -69.56 -57.55 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.8 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -51.6 -27.19 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -74.62 -59.96 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 16.9 ptmt -55.89 -43.5 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -61.17 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 537' ' ' LEU . 8.9 t80 -59.47 -38.18 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -70.78 -27.95 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 485' ' ' PHE . . . -87.8 -20.56 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 28.7 mt -98.22 -58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 14.2 p -40.72 -27.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 524' ' ' LEU . 2.3 t-160 -50.35 -61.17 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 t -170.48 109.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.7 123.44 47.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.44 122.22 46.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.0 tp -141.11 122.65 15.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.414 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.2 m-85 51.27 41.14 27.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 64.7 36.43 93.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -138.02 140.09 39.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -95.03 100.4 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.05 147.06 53.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.45 113.51 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 7.0 mp -90.97 133.13 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -144.84 136.96 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -69.38 109.64 4.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ALA . . . . . 0.573 ' HB3' ' HG2' ' A' ' 463' ' ' LYS . . . -47.21 124.05 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.43 91.59 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 3.2 m -71.6 120.1 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.05 138.87 58.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.451 HG23 ' NZ ' ' A' ' 457' ' ' LYS . 90.2 t -71.62 121.82 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 32.1 p -125.22 123.61 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.71 141.97 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -146.43 142.17 27.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 39.3 t -127.99 122.63 32.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.5 142.23 16.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 155.56 65.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.378 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 27.0 m -118.93 132.6 56.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 57.9 p -116.76 42.73 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 28.6 t -153.44 106.33 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 14.4 m -110.62 152.74 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -174.94 160.3 29.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 49.5 p -162.75 124.55 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.859 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 22.6 t -119.31 101.67 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -128.05 39.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 455' ' ' VAL . 39.6 tt0 -44.28 157.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.433 ' N ' ' HG2' ' A' ' 454' ' ' GLN . 34.0 m -148.97 144.74 18.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.36 8.18 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.44 45.43 2.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -171.71 165.7 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -72.97 149.43 43.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 26.7 m -71.19 112.9 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.9 t -41.47 130.61 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 42.7 p -97.55 86.08 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.679 ' HB3' ' HB3' ' A' ' 540' ' ' ALA . 21.9 mmtm -146.73 132.14 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 18.9 mt -120.94 107.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 506' ' ' PHE . 10.5 tp -97.26 109.25 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 469' ' ' ILE . 4.5 p -94.32 135.99 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 467' ' ' ARG . 10.6 mtp-105 -125.66 177.66 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 9.8 t30 56.97 40.29 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.769 HD11 HG13 ' A' ' 466' ' ' VAL . 37.6 mt -82.79 134.95 46.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.5 Cg_endo -69.79 139.12 39.35 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -48.09 -38.59 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -58.4 -42.19 86.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -64.91 126.8 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -116.74 172.64 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.459 ' HA ' HD22 ' A' ' 493' ' ' LEU . 21.8 tt0 -40.0 -45.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -64.46 -44.71 90.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -49.37 -51.58 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.436 HG13 HD21 ' A' ' 493' ' ' LEU . 20.2 mm -65.41 -42.74 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.586 ' HG3' HG21 ' A' ' 491' ' ' VAL . 55.9 mtt180 -46.26 -67.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.91 -36.76 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 tp -47.42 -55.92 7.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.964 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.4 m-85 -83.69 -47.6 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 25.2 t -42.34 -25.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.802 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 482' ' ' PHE . 20.8 m -54.31 -42.82 70.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' A' ' 524' ' ' LEU . 95.1 m-85 -70.9 -42.32 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -167.68 168.92 40.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.17 138.0 58.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 94.1 mt -103.42 154.98 18.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.532 ' HG2' HD13 ' A' ' 512' ' ' ILE . 35.0 mttt -86.03 -47.18 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.5 t -172.88 133.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.586 HG21 ' HG3' ' A' ' 479' ' ' ARG . 83.3 t -103.07 117.04 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -106.56 118.44 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.555 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp -135.73 142.4 40.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 122.33 9.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 131.94 53.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -89.3 134.51 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.438 ' HG3' HG23 ' A' ' 498' ' ' THR . 6.6 tpt -68.1 -49.28 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' THR . . . . . 0.438 HG23 ' HG3' ' A' ' 497' ' ' MET . 22.1 p -132.93 158.41 42.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 100.02 168.77 29.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 24.3 m -119.55 140.64 50.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 60.63 67.33 2.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -120.14 -41.08 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.04 132.76 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -100.75 169.38 9.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -78.61 76.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -162.36 140.36 8.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -167.66 156.29 27.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -107.17 140.64 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.45 129.93 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.11 146.45 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.6 m-85 -119.3 141.24 49.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.532 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.8 mm -49.41 -40.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 40.4 p -127.32 150.48 49.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -61.46 -47.94 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -43.35 -42.51 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' ASP . . . . . 0.499 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 38.8 m-20 -68.45 -46.92 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.13 -53.68 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -63.11 -44.8 94.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -54.87 -58.0 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.08 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 46.1 t80 -45.7 -64.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -58.9 -43.74 91.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.83 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.964 HD12 ' CE2' ' A' ' 482' ' ' PHE . 62.0 mt -71.99 -53.19 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 1.2 t -34.33 -53.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 525' ' ' CYS . 43.2 t-80 -35.72 -59.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 92.6 p -171.6 108.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 9.9 m -122.96 111.12 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.3 m-70 -109.71 118.37 36.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.1 tp -128.62 130.43 47.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.8 m-85 50.46 27.22 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.41 30.15 41.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -135.41 133.28 38.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.405 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 2.4 tmt_? -84.84 99.14 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.3 158.66 16.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.8 131.17 70.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.4 mm? -100.84 113.69 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.65 139.14 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.664 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 95.6 m95 -75.65 106.15 7.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ALA . . . . . 0.679 ' HB3' ' HB3' ' A' ' 463' ' ' LYS . . . -40.5 125.16 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.86 133.91 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 69.6 m -109.89 114.44 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.65 130.26 39.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.01 100.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 1.7 m -61.99 -63.21 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.1 t -133.83 122.1 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -84.32 144.72 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 94.1 p -135.65 134.14 38.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -150.61 -79.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.48 2.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 25.6 t -108.71 129.55 55.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 11.1 m -78.55 132.72 37.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 2.9 m -99.12 116.35 31.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 2.9 t -75.19 143.3 43.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 40.62 61.27 1.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 2.4 m -74.94 -57.71 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.5 m -50.31 129.08 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -56.52 -109.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -146.1 114.47 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 455' ' ' VAL . 4.5 p -162.31 128.88 2.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 457' ' ' LYS . 53.7 Cg_endo -69.78 -0.06 6.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 456' ' ' PRO . 29.6 pttt -34.4 125.39 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -139.26 111.62 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.23 107.85 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 10.8 m -74.24 117.68 16.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 2.3 t -112.33 145.0 40.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 2.0 m -112.99 86.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LYS . . . . . 0.671 ' HG2' ' HB3' ' A' ' 540' ' ' ALA . 5.0 tppt? -132.14 116.21 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 482' ' ' PHE . 91.5 mt -89.44 107.54 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.65 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -102.76 104.12 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.605 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.5 149.01 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -138.85 173.05 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.39 35.97 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 470' ' ' PRO . 44.4 mt -81.13 138.0 49.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.675 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 53.4 Cg_endo -69.78 176.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.22 -57.37 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -48.33 -35.75 12.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.675 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -52.62 116.35 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -116.01 171.7 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 475' ' ' GLN . 0.1 OUTLIER -53.44 -37.56 62.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -63.56 -42.57 98.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.76 -44.22 97.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.562 HG13 HD21 ' A' ' 493' ' ' LEU . 10.4 mm -71.1 -54.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.537 ' O ' HD11 ' A' ' 488' ' ' LEU . 44.7 ttt180 -41.85 -53.53 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.26 -42.45 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 tp -45.57 -40.37 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 464' ' ' ILE . 72.2 m-85 -94.43 -46.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 482' ' ' PHE . 23.0 t -37.24 -39.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 18.0 m -48.26 -50.37 29.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.402 ' CE1' HD21 ' A' ' 524' ' ' LEU . 39.7 m-85 -64.1 -42.1 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.91 168.75 41.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.16 140.77 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 479' ' ' ARG . 39.5 mt -103.77 152.36 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.863 ' HG2' HD13 ' A' ' 512' ' ' ILE . 27.3 mmtt -87.33 -38.78 15.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.9 t -174.03 147.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.449 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 41.3 t -118.54 111.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -104.22 119.99 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.562 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp -140.96 143.96 33.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.16 5.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -97.61 132.89 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 497' ' ' MET . 0.0 OUTLIER -59.16 113.37 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.429 ' N ' ' HD2' ' A' ' 496' ' ' LYS . 6.1 ptm -114.42 -41.43 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 1.5 t -161.99 136.0 6.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 94.77 121.0 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 82.8 p -47.37 132.8 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 59.71 58.62 13.3 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.72 -43.48 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.75 114.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -77.25 146.68 36.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.07 62.95 2.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -160.43 170.9 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -174.5 145.57 8.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.7 m-85 -105.18 117.7 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 482' ' ' PHE . 40.0 t -113.62 130.85 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 148.41 38.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 12.6 m-85 -118.09 145.4 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.863 HD13 ' HG2' ' A' ' 489' ' ' LYS . 40.8 mm -56.34 -42.7 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 36.1 p -119.4 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -47.81 -50.03 27.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -43.45 -61.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' ASP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 86.8 m-20 -41.87 -56.64 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.4 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.62 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -44.7 -63.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -49.81 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.611 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 85.2 t80 -34.85 -42.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.65 -61.19 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.75 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.489 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.0 mm? -50.46 -53.99 25.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.47 -35.02 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -43.79 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.8 p -170.84 105.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.0 m -123.41 98.22 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.87 121.11 35.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -130.52 116.54 18.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.465 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 80.3 m-85 62.33 32.01 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.05 31.18 66.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -137.72 126.33 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -75.33 124.2 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 469' ' ' ILE . 58.5 mt -91.15 153.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 50.6 t -115.1 138.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.71 130.05 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -147.03 145.26 29.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.611 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 95.9 m95 -70.09 110.48 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ALA . . . . . 0.671 ' HB3' ' HG2' ' A' ' 463' ' ' LYS . . . -55.72 158.17 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.17 138.5 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 78.2 p -100.84 122.01 42.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.67 107.63 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 544' ' ' VAL . 11.8 p -104.47 107.91 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 48.5 p -90.72 -18.85 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 26.8 m -84.06 143.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.7 136.65 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 36.5 p -49.25 141.84 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -163.58 71.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 95.8 p -60.52 120.25 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 35.9 t -127.61 131.38 49.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 93.4 p -145.9 156.64 43.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 57.7 p -163.38 174.87 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 159.07 156.56 8.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 91.4 p -172.01 127.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.3 p -135.77 162.35 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 121.34 76.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.563 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -113.84 96.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.561 HG12 ' HD2' ' A' ' 456' ' ' PRO . 0.9 OUTLIER -94.75 137.47 22.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 456' ' ' PRO . . . . . 0.561 ' HD2' HG12 ' A' ' 455' ' ' VAL . 53.5 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 456' ' ' PRO . 18.1 tttt -34.34 118.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 460' ' ' THR . 32.7 mmtt -57.05 -66.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -51.12 86.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 458' ' ' LYS . 83.3 m -64.29 136.1 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.2 t -95.66 151.37 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 31.5 p -116.05 88.23 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -146.52 115.37 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.53 111.97 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.6 tp -101.42 107.32 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 469' ' ' ILE . 3.3 p -90.55 111.43 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -101.06 163.46 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 42.4 t30 67.19 48.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 466' ' ' VAL . 48.4 mt -85.99 128.36 58.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.74 33.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -41.93 -50.79 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -46.09 -47.88 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -53.55 142.04 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -132.03 162.95 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' A' ' 493' ' ' LEU . 0.5 OUTLIER -41.94 -51.7 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.13 -44.51 79.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.33 -47.93 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.4 mm -66.7 -54.02 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -41.1 -53.97 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.51 -36.54 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.4 tp -51.1 -51.79 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 488' ' ' LEU . 85.2 m-85 -84.65 -46.23 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 47.0 t -41.51 -33.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 29.0 m -54.19 -49.0 70.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.86 -43.47 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -168.06 172.38 42.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.17 138.19 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 482' ' ' PHE . 85.7 mt -107.35 144.22 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.478 ' CG ' HD13 ' A' ' 512' ' ' ILE . 27.8 mttm -75.0 -44.1 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -172.98 149.87 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.446 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 24.8 t -119.7 123.07 70.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -115.52 121.66 43.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.4 mp -133.02 144.69 53.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.414 ' HG3' ' CE1' ' A' ' 506' ' ' PHE . 53.4 Cg_endo -69.78 124.86 11.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -124.48 127.07 46.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -82.11 159.11 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 498' ' ' THR . 14.6 mmt -84.72 120.43 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 497' ' ' MET . 68.8 p 36.14 45.9 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -95.31 163.75 24.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 500' ' ' THR . 14.7 t -81.75 40.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 74.08 47.1 19.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -120.95 82.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.407 ' ND1' ' C ' ' A' ' 503' ' ' HIS . 0.0 OUTLIER -105.96 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -74.98 153.24 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -90.47 62.55 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.414 ' CE1' ' HG3' ' A' ' 494' ' ' PRO . 1.8 p90 -161.64 142.11 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.45 147.55 18.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 465' ' ' LEU . 14.4 m-85 -110.58 127.09 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 482' ' ' PHE . 69.0 t -123.87 139.09 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.16 152.1 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 10.2 m-85 -121.9 148.09 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.478 HD13 ' CG ' ' A' ' 489' ' ' LYS . 46.3 mm -53.61 -44.08 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 37.2 p -131.55 176.05 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.86 -34.95 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.45 -61.81 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -61.62 -44.01 97.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.18 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -55.86 -54.9 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -48.32 -71.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -40.07 -66.13 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.8 t80 -43.89 -55.93 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -46.44 -34.04 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -82.01 -48.38 11.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.517 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.3 mm? -60.27 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 14.1 p -49.98 -45.92 52.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.455 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 20.9 t-80 -37.38 -56.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -174.5 105.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 90.2 m -125.21 120.67 31.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.9 m-70 -119.23 117.06 27.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 12.6 tp -125.0 121.26 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 58.41 32.45 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.84 31.99 57.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -138.35 124.88 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -78.29 104.71 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.04 147.61 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.23 118.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.417 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 4.7 mp -98.72 134.57 41.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.47 137.42 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -73.77 97.6 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.42 115.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.41 88.47 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 41.5 t -81.19 158.0 25.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.99 142.48 53.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.19 112.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 11.7 t -59.2 131.47 51.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.48 145.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 548' ' ' SER . 69.0 mt-30 -99.04 -51.57 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 547' ' ' GLN . 74.0 m 36.34 47.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 158.39 81.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.35 36.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.7 m 47.73 53.31 11.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 34.1 t -73.2 105.73 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.1 t -151.02 147.31 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 23.0 m -86.13 165.2 16.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -157.68 45.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.543 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 95.1 p -137.72 137.99 38.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 3.8 m -47.81 -61.31 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 59.74 45.68 95.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -115.64 108.32 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.74 150.21 70.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.09 3.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 458' ' ' LYS . 44.2 mtpt -85.21 -50.68 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 457' ' ' LYS . 0.1 OUTLIER 33.26 41.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -117.73 134.92 54.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 26.3 m -92.97 110.47 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 2.0 t -58.18 155.61 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.4 p -122.65 88.67 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -146.18 122.01 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.482 HG21 ' CE2' ' A' ' 482' ' ' PHE . 66.8 mt -110.08 107.44 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 507' ' ' GLY . 13.6 tp -105.23 113.94 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 469' ' ' ILE . 2.6 p -94.83 132.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -120.99 166.33 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 21.0 t30 67.64 38.68 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 466' ' ' VAL . 67.0 mt -83.7 133.14 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.77 145.67 57.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -49.74 -35.87 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 531' ' ' TYR . 23.8 mm-40 -58.46 -44.03 89.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -46.72 142.43 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 475' ' ' GLN . 94.0 m-20 -132.0 153.69 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.602 ' HA ' HD13 ' A' ' 493' ' ' LEU . 36.1 tt0 -38.26 -46.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.83 -45.4 86.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 477' ' ' GLU . 0.1 OUTLIER -48.22 -51.75 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.44 -52.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 488' ' ' LEU . 23.4 ttt180 -41.71 -64.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.31 -46.3 86.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 484' ' ' THR . 20.2 tp -40.69 -42.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.538 ' CE2' ' HG ' ' A' ' 524' ' ' LEU . 60.6 m-85 -92.34 -32.14 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.2 t -53.66 -26.44 22.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 481' ' ' LEU . 4.0 t -62.15 -32.7 73.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 524' ' ' LEU . 74.3 m-85 -79.94 -40.98 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -169.48 -171.17 34.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -79.12 137.64 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 479' ' ' ARG . 41.2 mt -106.12 143.59 34.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.901 ' HG2' HD13 ' A' ' 512' ' ' ILE . 7.8 mmtm -75.26 -56.09 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.7 t -164.35 140.97 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 479' ' ' ARG . 72.0 t -105.52 135.6 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -128.04 124.06 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.602 HD13 ' HA ' ' A' ' 475' ' ' GLN . 4.2 mp -136.89 148.83 64.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.58 6.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -109.08 133.11 53.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -50.47 137.48 19.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 14.9 ptm -118.75 157.81 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 68.3 p -56.6 122.02 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 111.77 -105.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 59.5 m -127.85 148.83 50.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.185 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 109.03 104.46 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -107.56 179.17 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.414 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 1.3 t-80 -58.66 110.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -78.64 162.68 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.3 61.65 4.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -157.0 133.23 9.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.63 141.52 10.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -104.6 136.12 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.27 122.38 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.66 147.11 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 7.2 m-85 -118.66 157.65 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.901 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.7 mm -66.44 -50.72 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 75.1 p -123.25 173.36 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -75.32 -57.34 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -38.96 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -54.17 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.23 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -44.64 -61.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -48.63 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -39.64 -67.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 537' ' ' LEU . 13.1 t80 -45.39 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -42.38 -29.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -88.17 -35.95 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 485' ' ' PHE . 2.4 mm? -73.05 -55.47 6.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 521' ' ' PHE . 14.6 p -48.29 -31.58 6.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -50.28 -58.09 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.1 t -166.72 106.33 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.4 m -122.59 94.79 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -101.62 135.4 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.3 tp -147.19 127.08 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.0 m-85 52.39 31.07 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.75 19.61 70.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -130.49 122.99 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.499 ' CG ' ' CE1' ' A' ' 529' ' ' HIS . 1.2 tmt_? -83.12 104.54 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.54 HD13 HG21 ' A' ' 466' ' ' VAL . 45.4 mt -62.08 161.16 11.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.1 t -113.59 130.68 67.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 2.6 mm? -98.78 117.74 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -138.64 134.17 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -76.24 149.58 37.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -120.55 113.0 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.49 142.82 26.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 42.0 m -92.71 124.37 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.7 133.39 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 544' ' ' VAL . 30.8 m -62.61 123.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 81.2 m -77.54 130.88 37.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.13 112.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -104.35 112.96 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 66.1 m -53.17 139.9 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 86.35 -163.4 35.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 p -86.46 10.57 14.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 13.6 t -160.79 119.56 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 174.21 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 17.1 m -136.78 167.16 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 135.61 92.6 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 78.9 p -121.01 150.21 41.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.7 t -76.21 94.57 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -83.57 -145.12 6.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -118.66 134.31 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.63 HG23 ' HD2' ' A' ' 456' ' ' PRO . 6.2 p -96.02 137.91 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 455' ' ' VAL . 53.6 Cg_endo -69.77 175.69 7.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 458' ' ' LYS . 9.2 ptpt -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 457' ' ' LYS . 26.1 mtpp -34.45 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.09 134.36 53.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.1 m -71.47 138.35 48.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.7 m -56.62 121.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.5 m -116.41 94.54 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 482' ' ' PHE . 47.2 mt -102.58 111.09 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.8 tp -108.97 100.13 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.823 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.75 124.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -111.53 171.1 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 28.8 t30 62.82 35.94 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.823 HD11 HG13 ' A' ' 466' ' ' VAL . 86.3 mt -74.35 130.19 82.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.6 57.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.96 -13.32 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -86.78 -11.48 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -97.12 123.69 40.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.79 171.23 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -47.37 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -53.76 -49.96 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.76 -53.94 40.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.98 -47.77 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -46.38 -56.87 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.2 tp -52.61 -40.21 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.675 ' CE1' HG21 ' A' ' 464' ' ' ILE . 61.7 m-85 -95.75 -45.53 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 486' ' ' GLY . 35.2 t -39.64 -51.08 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 61.7 m -38.27 -41.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 22.8 m-85 -69.59 -39.02 77.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 486' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 483' ' ' SER . . . 179.82 179.15 48.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.64 137.24 57.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 482' ' ' PHE . 18.8 mt -105.26 157.51 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.777 ' HG2' HD13 ' A' ' 512' ' ' ILE . 21.5 mttm -86.69 -51.24 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 134.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.0 t -98.0 111.89 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -108.64 119.41 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.9 mp -131.2 145.02 55.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.726 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 54.0 Cg_endo -69.8 135.67 30.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -123.41 128.47 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.88 158.55 27.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -99.91 -54.9 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 38.0 p -39.36 -50.37 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -152.5 -106.63 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.7 t -168.66 137.56 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 115.04 -37.82 3.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -91.89 64.73 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.513 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.0 OUTLIER -92.78 -175.36 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.51 141.29 28.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.04 68.29 1.68 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.613 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -164.28 137.84 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.85 134.78 6.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.5 m-85 -100.6 115.94 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.38 139.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.95 147.14 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.559 ' HE2' HD12 ' A' ' 464' ' ' ILE . 12.3 m-85 -118.49 149.25 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.777 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.9 mm -60.87 -42.76 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 1.6 p -118.83 178.61 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -86.95 -38.72 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -50.56 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.1 -41.94 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -57.02 -55.52 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.51 -55.86 28.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -48.11 -58.34 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -60.83 -34.79 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.626 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 91.3 t80 -59.36 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.445 ' OD1' ' NE2' ' A' ' 526' ' ' HIS . 2.0 p30 -68.6 -45.06 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.91 -55.69 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 525' ' ' CYS . 17.9 mt -73.12 -52.84 12.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -36.3 -47.95 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 522' ' ' ASN . 11.6 m-70 -41.49 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 62.5 m -146.45 106.13 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.535 ' CG2' HD12 ' A' ' 535' ' ' LEU . 38.6 m -122.99 96.29 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -98.33 117.75 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.7 tp -132.37 114.86 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.489 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 70.7 m-85 57.4 46.28 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 61.43 22.06 60.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -135.08 125.89 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -76.33 147.35 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 466' ' ' VAL . 72.0 mt -110.17 135.05 51.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.28 109.81 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.97 121.25 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -136.59 156.36 48.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.626 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 89.4 m95 -82.47 142.63 31.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -120.95 143.67 48.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.46 146.54 26.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 15.1 m -81.82 147.05 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -94.21 124.75 38.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.432 HG12 HG13 ' A' ' 546' ' ' VAL . 89.1 t -115.61 114.64 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 45.5 m -105.14 105.56 15.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.432 HG13 HG12 ' A' ' 544' ' ' VAL . 35.3 m -121.35 148.83 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -109.41 117.81 35.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.4 m -123.17 177.2 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -173.61 168.52 41.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.24 50.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.29 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.2 t -104.12 -49.04 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 39.1 t 58.69 41.41 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.434 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.9 m -154.27 138.8 16.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 53.5 p -156.96 177.63 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 131.69 91.12 0.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 58.1 p -112.55 112.6 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 25.6 p -173.55 117.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -92.64 73.0 1.43 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -118.73 71.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 12.4 p -166.16 129.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 125.33 12.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' LYS . . . . . 0.454 ' HE3' ' N ' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -49.67 -49.15 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 458' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 542' ' ' SER . 7.2 ttpt 46.92 53.42 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 460' ' ' THR . 89.5 mm-40 57.34 48.12 15.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 459' ' ' GLN . 1.3 m 34.54 51.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.8 t -44.85 168.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 1.8 m -132.66 93.32 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -142.59 127.01 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 482' ' ' PHE . 57.5 mt -107.87 115.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.03 106.39 14.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.422 HG13 HD11 ' A' ' 469' ' ' ILE . 5.0 p -89.23 124.56 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -115.06 172.34 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 505' ' ' GLY . 15.8 t30 59.72 43.5 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.422 HD11 HG13 ' A' ' 466' ' ' VAL . 7.9 mt -82.94 132.66 50.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.76 63.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -55.61 -41.24 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.81 -39.21 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.08 141.71 58.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 477' ' ' GLU . 1.0 OUTLIER -128.41 166.15 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -44.03 -52.72 6.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.88 -49.04 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.428 ' H ' ' ND2' ' A' ' 474' ' ' ASN . 42.5 tp10 -52.56 -45.55 66.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 493' ' ' LEU . 42.9 mm -65.63 -47.3 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 491' ' ' VAL . 45.8 ttp85 -52.11 -53.41 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.54 -33.02 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 484' ' ' THR . 22.5 tp -54.28 -44.31 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 509' ' ' VAL . 74.5 m-85 -91.25 -37.12 13.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 15.7 t -53.74 -35.24 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 481' ' ' LEU . 5.5 t -58.14 -16.1 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 524' ' ' LEU . 53.1 m-85 -97.8 -42.88 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -163.38 -177.45 36.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 512' ' ' ILE . 4.6 tp10 -70.39 134.95 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 38.0 mt -103.75 147.19 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 512' ' ' ILE . 43.7 mttt -89.27 -47.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.7 t -174.13 138.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 36.6 t -112.71 132.86 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -121.71 120.67 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.671 HD21 HG13 ' A' ' 478' ' ' ILE . 3.0 mp -140.83 144.1 34.4 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.35 39.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -106.73 135.14 48.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 502' ' ' ALA . 24.8 tttt -78.33 109.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 47.2 tpp -113.88 -55.79 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 17.3 p -71.17 -48.25 52.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 116.52 -156.99 15.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 46.0 p 47.73 43.24 16.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 68.33 77.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 496' ' ' LYS . . . -95.72 -49.4 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.435 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 2.1 t-80 -56.56 101.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 506' ' ' PHE . 4.6 tpt180 -62.97 150.4 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 505' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -77.79 50.38 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -148.16 145.16 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -148.82 141.7 9.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -99.14 127.68 45.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 482' ' ' PHE . 59.8 t -127.75 116.23 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 22.6 t0 -105.95 149.16 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 6.9 m-85 -117.83 158.84 24.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.77 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.1 mm -69.15 -41.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 71.1 p -119.25 177.7 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -87.42 -55.69 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -41.05 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -75.7 -66.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -40.0 -40.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -40.48 -51.38 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.99 -45.5 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.58 -51.24 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 485' ' ' PHE . 10.7 mp -79.99 -53.92 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 524' ' ' LEU . 39.4 t -36.13 -56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 525' ' ' CYS . 70.8 t60 -35.99 -58.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.1 t -163.92 106.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 86.1 m -126.14 111.91 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.5 117.77 32.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.4 tp -123.94 130.33 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.531 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.7 m-85 44.13 36.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.66 31.19 65.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -89.02 110.01 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.34 141.07 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 538' ' ' GLU . 89.6 t -105.27 116.09 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.84 132.6 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' GLU . . . . . 0.464 ' CD ' HG12 ' A' ' 536' ' ' VAL . 3.3 mp0 -143.11 167.68 21.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.92 96.27 7.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -55.67 136.56 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -108.66 79.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' SER . . . . . 0.43 ' O ' ' NZ ' ' A' ' 458' ' ' LYS . 30.4 t -99.6 139.04 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.94 164.13 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.0 p -115.94 143.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 46.5 p -69.9 120.9 16.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.74 163.62 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -169.14 128.01 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.2 t -80.98 163.56 23.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 158.91 83.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.71 67.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -85.27 151.35 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.5 t -146.34 123.78 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 48.9 m -136.74 169.88 17.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 4.4 m -103.06 151.03 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -123.42 176.03 16.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 69.6 m -100.72 132.46 46.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.9 m -47.68 -49.82 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 113.98 127.82 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.27 148.42 47.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 456' ' ' PRO . 3.4 t -89.81 136.27 29.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 455' ' ' VAL . 53.8 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -141.66 152.21 43.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -112.4 102.3 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -133.97 124.9 27.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 10.2 p -117.35 113.12 21.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 t -87.61 152.48 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.2 m -127.36 89.15 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -141.29 105.09 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 51.0 mt -95.52 109.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.1 tp -104.08 99.13 8.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' VAL . . . . . 0.904 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -86.17 121.25 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -110.95 172.59 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' ASN . . . . . 0.466 ' O ' HD23 ' A' ' 535' ' ' LEU . 12.6 t30 62.96 42.11 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ILE . . . . . 0.904 HD11 HG13 ' A' ' 466' ' ' VAL . 41.8 mt -88.64 136.23 31.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.637 0.732 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.75 142.55 48.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -46.13 -42.26 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.99 -42.41 68.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -48.21 128.88 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -127.09 162.31 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -67.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -42.99 -33.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -63.62 -54.62 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 22.5 mm -68.3 -37.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.687 ' HG2' HG21 ' A' ' 491' ' ' VAL . 0.0 OUTLIER -51.89 -58.6 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.47 -30.31 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 484' ' ' THR . 20.5 tp -56.47 -43.31 79.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 482' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 524' ' ' LEU . 53.8 m-85 -93.77 -45.6 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 483' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 479' ' ' ARG . 10.6 t -44.34 -36.71 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 485' ' ' PHE . 9.1 t -44.48 -43.36 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 485' ' ' PHE . . . . . 0.522 ' CD1' HG23 ' A' ' 484' ' ' THR . 65.9 m-85 -67.86 -35.77 79.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 174.75 -179.26 46.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.46 142.79 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 479' ' ' ARG . 78.1 mt -107.33 157.52 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.839 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.1 mmtp -87.5 -45.98 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.2 t -169.95 133.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' VAL . . . . . 0.687 HG21 ' HG2' ' A' ' 479' ' ' ARG . 25.2 t -103.99 105.07 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -104.03 131.04 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.0 mp -139.01 143.79 38.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.9 Cg_endo -69.76 116.35 4.52 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -122.58 104.16 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.823 ' HG2' ' HB3' ' A' ' 502' ' ' ALA . 6.2 tppt? -91.86 115.16 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 27.8 mtt -72.04 -49.36 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 38.5 p -95.82 109.99 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 500' ' ' THR . . . 138.29 45.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 499' ' ' GLY . 40.8 p 37.91 41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 73.15 72.62 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.823 ' HB3' ' HG2' ' A' ' 496' ' ' LYS . . . -91.69 80.73 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.7 t-80 -94.08 109.41 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.66 149.48 48.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -75.91 66.57 2.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 494' ' ' PRO . 3.5 p90 -162.38 134.9 5.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.903 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -141.56 144.09 13.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.15 119.49 39.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 482' ' ' PHE . 68.5 t -121.76 125.99 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.69 149.02 41.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -115.7 172.46 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.839 HD13 ' HG2' ' A' ' 489' ' ' LYS . 38.6 mm -83.39 -44.49 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 73.0 p -119.17 142.23 48.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -48.92 -60.54 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -39.47 -57.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.31 -40.74 26.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -72.06 -39.65 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.41 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.516 ' HA ' ' ND2' ' A' ' 522' ' ' ASN . 15.3 ptpt -66.93 -38.39 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.6 ' O ' HD13 ' A' ' 524' ' ' LEU . . . -72.71 -32.67 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' PHE . . . . . 0.486 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 14.8 t80 -71.85 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ASN . . . . . 0.516 ' ND2' ' HA ' ' A' ' 519' ' ' LYS . 1.8 p30 -58.27 -38.06 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.27 61.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.774 HD22 ' CE1' ' A' ' 482' ' ' PHE . 10.8 mp -68.5 -59.34 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 1.2 p -40.08 -41.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 526' ' ' HIS . . . . . 0.43 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 6.6 m170 -46.69 -50.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 57.2 p -172.46 106.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 535' ' ' LEU . 14.5 m -124.95 109.19 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.37 122.45 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 9.0 tp -132.16 127.21 35.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 531' ' ' TYR . . . . . 0.516 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 79.6 m-85 53.08 28.81 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.63 37.66 39.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -132.74 151.39 52.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -100.21 100.32 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 528' ' ' THR . 45.2 mt -75.47 137.52 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.94 128.22 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.97 117.4 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -140.41 137.01 33.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' TRP . . . . . 0.486 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 77.8 m95 -67.67 107.97 2.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -46.5 126.84 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -107.91 112.79 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 29.1 t -73.46 140.47 46.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -91.13 148.37 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 544' ' ' VAL . 11.0 p -100.47 127.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 76.3 p -44.77 156.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 85.9 t -129.62 104.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -152.82 131.21 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.1 t -63.94 145.37 55.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.18 30.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.48 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 46.6 m -95.99 174.52 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 32.1 t -80.22 140.03 36.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.899 0.38 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -144.2 112.39 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 511' ' ' PHE . 96.5 mt -95.67 109.51 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 507' ' ' GLY . 15.2 tp -105.11 103.82 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -85.35 120.0 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -111.67 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.8 t30 60.43 41.84 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 470' ' ' PRO . 75.1 mt -84.5 138.6 38.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.4 Cg_endo -69.72 150.55 68.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.24 -11.68 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -86.73 -25.21 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -69.17 141.6 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -132.4 170.33 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 493' ' ' LEU . 1.1 tm0? -44.59 -61.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -51.97 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.23 -56.81 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 479' ' ' ARG . 37.3 mm -68.23 -47.78 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.938 ' HA ' HG21 ' A' ' 491' ' ' VAL . 0.2 OUTLIER -37.84 -64.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.55 -48.16 70.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.5 tp -37.78 -38.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.733 ' CE2' HD12 ' A' ' 524' ' ' LEU . 31.9 m-85 -98.57 -42.41 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.492 ' N ' HD11 ' A' ' 488' ' ' LEU . 7.5 t -46.43 -44.73 17.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 6.0 t -45.24 -33.35 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.23 -34.98 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 179.32 173.41 44.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . 0.42 ' HG3' HD11 ' A' ' 512' ' ' ILE . 19.3 tp10 -62.01 131.79 50.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 483' ' ' SER . 75.0 mt -105.82 128.27 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.531 ' HG2' HD13 ' A' ' 512' ' ' ILE . 36.2 mmtt -55.37 -52.5 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.9 t -169.41 129.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.938 HG21 ' HA ' ' A' ' 479' ' ' ARG . 20.2 t -100.8 110.54 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -102.96 131.89 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -104.13 61.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -158.41 136.5 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.39 144.85 14.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -107.95 127.39 53.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 33.7 t -127.24 122.28 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 489' ' ' LYS . 39.7 t0 -111.18 137.48 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 12.8 m-85 -105.8 163.97 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.5 mm -69.13 -44.45 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 65.9 p -129.58 160.72 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -57.56 -45.83 84.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.56 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -45.19 -34.86 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -73.5 -36.21 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.61 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 16.4 ptmt -61.15 -41.28 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.06 -54.14 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -44.87 -51.28 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -73.01 -45.09 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -45.68 -35.79 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.733 HD12 ' CE2' ' A' ' 482' ' ' PHE . 94.3 mt -99.42 -53.12 3.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 524' ' ' LEU . 41.4 t -35.15 -52.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 525' ' ' CYS . 13.5 t-160 -35.34 -61.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 63.9 p -166.2 106.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 37.4 m -125.61 114.58 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 0.3 OUTLIER -110.49 120.6 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.2 tp -129.63 118.05 21.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.486 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 69.6 m-85 61.57 31.76 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.43 57.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -134.56 135.26 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.546 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.1 tmm_? -86.95 99.19 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 93.8 mt -60.19 150.58 29.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.6 t -118.17 106.71 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -88.38 126.69 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -144.73 147.64 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -133.76 118.09 17.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 511' ' ' PHE . 75.0 mt -110.22 108.13 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.42 108.22 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.928 HG13 HD11 ' A' ' 469' ' ' ILE . 7.2 p -92.03 129.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -117.85 170.51 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 505' ' ' GLY . 22.7 t30 63.73 44.22 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.928 HD11 HG13 ' A' ' 466' ' ' VAL . 85.9 mt -87.13 138.42 32.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.734 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.71 143.52 51.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.686 2.258 . . . . 0.0 112.394 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.34 -38.48 63.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -58.32 -43.95 88.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -57.53 138.75 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -131.77 177.56 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 493' ' ' LEU . 27.3 tt0 -45.57 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -41.67 -43.92 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.427 ' OE2' HD13 ' A' ' 481' ' ' LEU . 5.3 tm-20 -55.05 -58.75 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 35.9 mm -56.88 -44.01 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 491' ' ' VAL . 7.9 mtp85 -48.82 -70.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.61 -36.34 71.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 484' ' ' THR . 19.7 tp -47.12 -54.83 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 524' ' ' LEU . 54.8 m-85 -86.24 -49.36 7.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 482' ' ' PHE . 44.3 t -36.75 -40.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 481' ' ' LEU . 6.7 t -45.55 -48.44 14.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.52 ' N ' HG23 ' A' ' 484' ' ' THR . 36.6 m-85 -64.72 -43.33 93.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.32 172.47 44.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -59.59 139.93 56.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 482' ' ' PHE . 59.8 mt -107.18 152.38 24.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.429 ' CG ' HD13 ' A' ' 512' ' ' ILE . 23.5 mttm -81.92 -46.41 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.5 t -174.86 136.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 493' ' ' LEU . 70.4 t -105.68 112.31 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -103.06 120.7 41.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.678 ' CD1' HG12 ' A' ' 491' ' ' VAL . 4.4 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -88.77 60.37 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -151.14 138.24 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -151.54 139.96 7.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -99.89 132.12 45.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.8 126.66 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -111.0 145.53 38.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 464' ' ' ILE . 10.4 m-85 -115.16 156.79 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.429 HD13 ' CG ' ' A' ' 489' ' ' LYS . 32.8 mm -65.79 -46.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 25.2 p -127.82 147.17 50.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.4 mtmm -51.36 -53.86 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 514' ' ' LYS . 77.3 mm-40 -35.1 -64.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -49.11 -49.35 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 521' ' ' PHE . . . -53.02 -39.88 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.6 -57.12 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -49.92 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -56.68 -58.26 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.581 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 25.6 t80 -38.26 -58.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -66.04 -38.97 89.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -53.6 -54.11 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 31.9 mt -79.3 -53.33 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 17.8 t -37.83 -40.72 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -54.08 -54.15 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 93.4 p -159.32 107.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.83 114.78 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -118.76 119.24 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -135.09 126.6 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 84.0 m-85 51.64 38.24 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.22 35.28 82.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -136.49 152.81 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -104.68 102.14 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.1 mt -69.66 147.56 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 65.8 t -115.34 107.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.34 122.66 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -137.9 160.78 38.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.581 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 92.0 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.946 0.403 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -145.84 143.79 29.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.483 HD12 ' CE1' ' A' ' 511' ' ' PHE . 70.1 mt -123.41 110.24 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -99.39 105.0 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 1.053 HG13 HD11 ' A' ' 469' ' ' ILE . 3.5 p -86.9 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -120.18 164.09 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 505' ' ' GLY . 28.0 t30 67.89 41.28 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 1.053 HD11 HG13 ' A' ' 466' ' ' VAL . 54.1 mt -86.35 132.95 41.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.77 137.34 35.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -44.92 -25.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.01 -48.73 64.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -47.59 125.21 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -113.21 160.69 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -44.74 -34.45 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -49.87 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -48.81 -48.29 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.432 HG13 HD21 ' A' ' 493' ' ' LEU . 11.8 mm -65.63 -52.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.454 ' HG3' ' CG2' ' A' ' 491' ' ' VAL . 24.5 ttp180 -43.28 -58.11 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.26 -43.29 86.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 tp -45.23 -45.96 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.9 m-85 -87.52 -41.9 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 486' ' ' GLY . 14.0 t -44.67 -44.94 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 97.2 m -39.71 -36.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 63.7 m-85 -77.25 -41.49 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -176.67 170.68 43.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.07 139.03 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 40.0 mt -107.75 154.23 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.735 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.4 OUTLIER -77.67 -52.31 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.0 t -174.51 140.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 493' ' ' LEU . 21.3 t -104.63 128.44 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -118.14 107.53 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.552 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 505' ' ' GLY . 42.8 ttt85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 504' ' ' ARG . . . -81.69 40.99 2.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.89 143.44 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -145.52 149.88 22.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 465' ' ' LEU . 4.5 m-85 -108.57 129.35 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.59 121.51 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 62.5 t0 -105.95 144.07 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -113.91 163.43 15.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.735 HD13 ' HG2' ' A' ' 489' ' ' LYS . 49.4 mm -70.92 -38.57 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 69.1 p -132.77 -174.99 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -85.21 -44.41 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 515' ' ' GLN . 0.5 OUTLIER -44.94 -67.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 516' ' ' ASP . 0.4 OUTLIER -44.23 -50.72 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.52 -56.97 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -52.93 -65.07 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -40.2 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 523' ' ' ALA . . . -45.73 -58.85 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.411 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 43.2 t80 -40.32 -46.17 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -78.19 -29.72 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.549 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -72.03 -25.8 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 525' ' ' CYS . 97.0 mt -102.22 -57.13 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 36.4 t -37.08 -52.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 527' ' ' SER . 8.2 p-80 -35.97 -50.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 526' ' ' HIS . 3.0 m -173.84 109.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.3 m -124.48 128.88 49.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -123.49 129.58 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -142.69 114.54 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 73.8 m-85 63.24 40.65 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.79 17.01 70.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -124.38 164.47 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -105.9 149.19 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.89 129.68 55.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.414 HG12 ' HG3' ' A' ' 538' ' ' GLU . 83.9 t -88.48 127.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.9 mm? -99.21 116.71 32.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 536' ' ' VAL . 93.9 mt-10 -138.07 164.35 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.411 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 75.4 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.912 0.386 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -139.87 120.31 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 482' ' ' PHE . 65.2 mt -93.14 119.19 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.4 tp -110.32 102.49 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 469' ' ' ILE . 5.9 p -86.58 112.93 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -106.22 166.18 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.08 45.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 466' ' ' VAL . 10.3 mt -88.43 136.1 31.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.66 -51.73 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -49.36 -24.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.52 135.89 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -130.67 165.36 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.702 ' HA ' HD22 ' A' ' 493' ' ' LEU . 33.7 tt0 -48.07 -47.31 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -60.23 -40.11 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.42 -47.42 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.26 -47.09 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 483' ' ' SER . 30.6 ttt180 -47.79 -49.64 28.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.2 -35.71 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.51 -46.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 509' ' ' VAL . 77.6 m-85 -89.98 -50.17 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 29.4 t -36.92 -40.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 88.3 m -46.05 -50.09 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 35.5 m-85 -60.98 -36.83 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.66 46.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.22 138.22 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 71.5 mt -104.25 158.97 16.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.589 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.9 mttt -91.31 -47.23 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -167.57 141.36 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 38.3 t -114.34 108.42 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -98.69 120.53 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 475' ' ' GLN . 2.5 mp . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.96 40.94 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.61 150.3 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -154.87 144.5 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.589 ' CE1' HD13 ' A' ' 465' ' ' LEU . 8.2 m-85 -104.21 128.94 51.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 482' ' ' PHE . 25.7 t -126.87 127.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.18 147.21 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.2 m-85 -114.21 155.52 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.589 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.4 mm -61.56 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 22.0 p -125.57 132.66 52.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 515' ' ' GLN . 7.3 mtpm? -39.57 -54.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 514' ' ' LYS . 45.8 mm-40 -34.76 -59.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 40.2 m-20 -51.31 -52.22 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -53.53 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -57.75 -66.15 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -44.2 -68.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -44.99 -64.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.657 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 15.0 t80 -35.78 -51.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.29 -52.0 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.78 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.9 mp -69.11 -57.65 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 524' ' ' LEU . 4.2 t -35.99 -32.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 524' ' ' LEU . 10.6 t-160 -57.86 -49.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 524' ' ' LEU . 3.6 m -170.19 109.4 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . 0.473 HG22 HD12 ' A' ' 535' ' ' LEU . 7.3 m -124.4 111.01 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 1.4 m80 -115.68 125.61 53.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.5 tp -137.45 118.22 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.479 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 60.09 26.71 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.02 38.92 21.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -144.46 116.26 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.0 OUTLIER -68.98 103.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 528' ' ' THR . 43.4 mt -70.9 147.93 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.87 138.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.44 114.74 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -128.63 149.41 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.657 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 97.0 m95 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 0.9 OUTLIER -146.72 113.03 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 482' ' ' PHE . 11.7 mt -93.66 107.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.2 tp -102.87 104.18 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 469' ' ' ILE . 1.1 p -90.84 129.76 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -114.87 175.74 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.8 t30 61.46 40.71 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.604 HG22 ' HB3' ' A' ' 473' ' ' ALA . 43.4 mt -87.1 134.89 35.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.73 146.95 61.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -53.95 -26.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -67.47 -38.62 84.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -54.49 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -129.02 157.05 42.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.425 ' HA ' HD13 ' A' ' 493' ' ' LEU . 38.6 tt0 -39.23 -40.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -46.17 74.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.87 -51.04 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.53 -48.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 491' ' ' VAL . 14.4 ttt180 -47.69 -50.03 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -31.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.7 -39.93 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 464' ' ' ILE . 52.2 m-85 -96.81 -47.08 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 19.8 m -43.48 -43.49 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 485' ' ' PHE . 15.2 t -43.54 -37.56 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.664 ' CE1' HD11 ' A' ' 524' ' ' LEU . 46.9 m-85 -73.06 -39.45 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.69 -176.33 41.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.23 135.16 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 57.7 mt -104.36 156.72 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.7 mtpt -90.58 -48.8 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.8 t -173.03 131.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 479' ' ' ARG . 25.2 t -100.24 127.32 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 492' ' ' ARG . 4.6 mmm180 -118.21 129.57 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.3 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.868 0.366 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -91.23 56.35 3.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -161.2 142.4 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -150.03 144.97 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.477 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 64.0 m-85 -106.5 132.03 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 89.1 t -127.26 124.72 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.62 140.14 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 9.6 m-85 -112.2 144.46 41.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.5 mm -48.77 -51.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 58.3 p -122.76 168.36 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 515' ' ' GLN . 50.8 mttp -68.09 -58.69 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 514' ' ' LYS . 33.0 mt-30 -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -51.83 -47.18 64.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.0 -60.71 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -52.24 -46.19 65.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -51.65 -58.55 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -67.3 -62.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.658 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 4.9 t80 -38.36 -40.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -74.24 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.81 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.5 mp -68.21 -56.92 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -38.23 -39.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -50.47 -52.67 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.8 m -170.83 105.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m -123.49 128.56 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.64 138.27 54.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.4 tp -146.26 116.17 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 87.3 m-85 58.59 32.39 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.57 20.6 76.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -123.85 126.76 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -77.03 107.79 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.07 144.92 42.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.22 117.33 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.2 mp -97.69 118.91 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -138.17 139.83 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.658 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 96.1 m95 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -146.39 125.49 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 93.2 mt -108.08 118.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.7 tp -109.77 103.31 12.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 469' ' ' ILE . 1.7 p -86.34 123.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -111.91 174.62 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 27.6 t30 64.33 32.45 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.764 HD11 HG13 ' A' ' 466' ' ' VAL . 59.3 mt -78.82 132.53 64.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.751 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.71 178.64 4.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -72.03 -53.7 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -46.62 -46.96 20.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -39.13 124.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.22 169.58 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 493' ' ' LEU . 24.8 tt0 -47.23 -44.59 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -61.39 -47.17 87.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -49.56 -55.94 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.37 -40.82 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.57 ' HD2' HG21 ' A' ' 491' ' ' VAL . 2.3 tpt180 -43.61 -66.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 481' ' ' LEU . 32.7 mm-40 -65.48 -44.71 86.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 480' ' ' GLU . 14.7 tp -36.49 -44.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 509' ' ' VAL . 73.8 m-85 -96.54 -49.11 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 482' ' ' PHE . 8.1 t -37.79 -40.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 96.9 m -50.52 -47.3 57.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.427 ' CB ' ' HB2' ' A' ' 520' ' ' ALA . 28.2 m-85 -64.26 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 516' ' ' ASP . . . -175.29 177.37 47.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.52 141.06 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 78.0 mt -107.43 158.94 16.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.71 ' CG ' HD13 ' A' ' 512' ' ' ILE . 5.0 mtmp? -98.39 -40.48 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 3.9 t -167.75 134.53 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.57 HG21 ' HD2' ' A' ' 479' ' ' ARG . 12.7 t -111.46 106.34 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -103.43 130.21 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.495 ' HB3' ' CD1' ' A' ' 506' ' ' PHE . 31.6 ttm180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.96 69.8 3.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 504' ' ' ARG . 1.7 p90 -163.93 128.83 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -136.68 145.64 17.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.62 117.33 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.515 HG21 ' CE2' ' A' ' 482' ' ' PHE . 57.0 t -120.12 123.69 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -109.66 140.7 43.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -110.53 157.51 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.71 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.9 mm -66.41 -34.23 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 21.0 p -138.69 165.23 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -71.65 -45.43 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.57 -61.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . 0.426 ' CG ' ' HA3' ' A' ' 486' ' ' GLY . 3.2 t70 -56.39 -40.93 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.94 -48.12 79.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.48 -60.57 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -39.79 -62.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 485' ' ' PHE . . . -59.73 -45.95 90.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.574 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 67.2 t80 -48.41 -55.82 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.62 -50.48 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.46 -56.32 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 525' ' ' CYS . 85.8 mt -73.46 -48.86 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 4.8 t -38.0 -48.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 525' ' ' CYS . 21.5 t-80 -35.91 -62.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 m -167.68 116.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 2.3 m -126.35 105.47 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.47 117.81 32.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.3 tp -130.36 114.88 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.499 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 60.5 m-85 61.51 32.86 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.09 37.31 38.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -144.87 137.27 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -92.04 105.51 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.9 mt -68.94 161.62 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.8 110.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.19 120.2 32.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -141.45 147.47 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.574 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 79.2 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.955 0.407 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -146.62 113.26 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 511' ' ' PHE . 79.5 mt -108.83 120.46 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -113.05 114.04 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -95.19 130.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -120.67 168.0 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 14.2 t30 66.18 41.55 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 466' ' ' VAL . 43.4 mt -86.37 137.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.1 Cg_endo -69.71 163.53 37.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.22 . . . . 0.0 112.384 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.27 -43.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.09 -33.82 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -74.5 135.94 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -131.36 174.75 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.429 ' HA ' HD13 ' A' ' 493' ' ' LEU . 35.5 tt0 -44.22 -48.81 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -46.32 -46.65 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.548 HG13 HD21 ' A' ' 493' ' ' LEU . 50.1 mm -63.88 -54.0 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -43.71 -54.21 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.15 -39.93 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.3 tp -48.19 -52.84 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 488' ' ' LEU . 67.8 m-85 -82.45 -48.12 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 482' ' ' PHE . 40.4 t -37.25 -35.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 60.3 m -56.3 -46.75 79.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.485 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 54.2 m-85 -67.54 -31.88 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 177.71 166.74 34.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.84 137.6 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 482' ' ' PHE . 48.9 mt -106.31 158.43 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 512' ' ' ILE . 51.3 mttm -88.06 -44.39 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.8 t -174.0 148.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 97.5 t -120.54 122.82 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -116.48 111.92 20.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.1 73.43 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -163.73 132.63 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.899 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.53 139.89 8.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 465' ' ' LEU . 44.9 m-85 -102.12 133.63 46.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 61.2 t -127.07 138.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.37 142.85 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.57 ' HE2' HD12 ' A' ' 464' ' ' ILE . 13.7 m-85 -113.04 156.33 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.5 mm -68.96 -43.46 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.0 p -120.42 173.78 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -34.03 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -59.42 -46.39 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -46.39 78.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.73 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -56.41 -51.69 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -48.47 -54.46 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.546 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 17.8 t80 -57.78 -58.47 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.15 -48.31 76.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -48.13 -56.78 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 525' ' ' CYS . 92.3 mt -72.36 -56.63 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 524' ' ' LEU . 26.4 t -34.28 -53.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -37.65 -65.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.0 t -152.71 109.35 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.48 120.11 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -117.57 128.95 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.8 tp -143.01 112.4 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.0 m-85 63.06 35.64 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.23 67.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.15 140.22 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -85.98 147.87 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 19.9 mt -111.33 132.62 54.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.19 111.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.0 mp -98.36 118.57 35.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -138.56 146.15 41.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.546 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 89.1 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.941 0.401 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -145.92 131.42 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.818 HD12 ' CE1' ' A' ' 511' ' ' PHE . 59.3 mt -110.12 109.12 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -103.61 109.17 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.965 HG13 HD11 ' A' ' 469' ' ' ILE . 3.2 p -94.47 136.52 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -121.31 166.34 14.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 50.7 t30 70.39 32.36 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.965 HD11 HG13 ' A' ' 466' ' ' VAL . 62.7 mt -75.65 129.92 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.68 43.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 0.0 112.368 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -44.98 -32.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.74 -43.18 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.64 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -56.46 130.66 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -129.07 170.7 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.696 ' N ' HD22 ' A' ' 493' ' ' LEU . 25.5 mt-30 -40.09 -51.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 477' ' ' GLU . 34.3 ttt180 -52.27 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 476' ' ' ARG . 1.0 OUTLIER -34.71 -52.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 31.5 mm -61.7 -50.38 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.464 ' HG3' HG21 ' A' ' 491' ' ' VAL . 42.1 ttt180 -48.24 -57.68 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.69 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.2 tp -48.28 -53.95 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 524' ' ' LEU . 81.4 m-85 -86.39 -49.87 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 45.7 t -38.51 -34.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 56.8 m -52.99 -46.83 68.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -64.43 -40.79 96.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -173.32 177.4 45.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.81 141.8 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.374 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 61.8 mt -106.69 159.26 16.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.992 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.4 mmtt -93.86 -45.23 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.0 t -169.71 139.58 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.0 t -108.27 107.32 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -101.85 125.17 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 475' ' ' GLN . 4.1 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.28 63.18 3.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 1.0 OUTLIER -159.47 151.09 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -147.2 147.8 18.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.822 ' CE1' HD13 ' A' ' 465' ' ' LEU . 7.5 m-85 -113.21 123.06 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 67.6 t -123.57 118.57 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -99.21 145.56 27.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.818 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.8 m-85 -115.24 160.01 20.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.992 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.5 mm -70.05 -37.8 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 76.2 p -137.71 -176.16 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -85.01 -39.16 18.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -46.43 -65.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.45 -44.76 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -46.95 -61.42 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -60.01 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -38.15 -55.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.08 -59.68 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.684 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 7.0 t80 -36.8 -56.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -65.34 -45.72 83.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.44 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 482' ' ' PHE . 81.6 mt -83.52 -55.68 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 6.8 t -34.67 -47.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -41.73 -64.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 t -160.72 105.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.1 m -122.9 124.02 42.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -120.23 131.34 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 9.6 tp -140.67 131.04 25.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 46.11 28.14 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.9 29.4 42.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -137.01 135.88 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -86.98 110.88 20.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 65.2 mt -74.32 148.97 40.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.11 131.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.7 mm? -100.96 115.18 29.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.68 136.4 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.684 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 82.3 m95 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -143.24 112.21 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 511' ' ' PHE . 40.8 mt -89.34 117.89 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 507' ' ' GLY . 12.3 tp -112.2 100.98 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 469' ' ' ILE . 6.3 p -83.92 124.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -116.29 171.42 7.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.03 35.27 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 466' ' ' VAL . 75.5 mt -75.28 138.06 71.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.75 165.9 29.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -68.91 -37.04 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.91 -42.02 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -55.23 135.45 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.02 176.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -55.07 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -50.41 -44.44 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.93 -58.98 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 493' ' ' LEU . 33.9 mm -53.62 -43.83 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.458 ' O ' ' CD1' ' A' ' 488' ' ' LEU . 23.7 ttp180 -52.28 -65.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.49 -30.96 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 30.4 tp -53.31 -48.96 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 45.6 m-85 -85.27 -34.05 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 488' ' ' LEU . 4.0 p -51.05 -37.51 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 87.4 m -51.94 -23.62 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 524' ' ' LEU . 83.3 m-85 -89.78 -42.37 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.41 40.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.38 133.1 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 482' ' ' PHE . 49.5 mt -104.62 146.47 28.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.666 ' HG3' HD13 ' A' ' 512' ' ' ILE . 55.3 mttt -82.15 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 15.2 t -157.16 145.31 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 23.0 t -114.25 135.69 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -122.8 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 478' ' ' ILE . 2.6 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -101.85 63.85 0.49 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.2 OUTLIER -159.99 124.0 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -137.73 149.61 20.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.442 ' CE1' HD13 ' A' ' 465' ' ' LEU . 56.7 m-85 -105.55 132.37 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.43 ' CG1' HD22 ' A' ' 488' ' ' LEU . 50.6 t -127.36 112.53 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -96.09 142.01 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.724 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 13.9 m-85 -111.69 151.95 28.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.666 HD13 ' HG3' ' A' ' 489' ' ' LYS . 45.0 mm -62.04 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 54.4 p -127.93 137.42 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -45.47 -42.82 10.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 518' ' ' LYS . 15.4 mm100 -53.21 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.29 -44.44 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -65.05 -37.01 86.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 515' ' ' GLN . 28.3 mttm -69.82 -61.41 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 7.1 ptmt -49.79 -39.25 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -69.99 -57.91 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 9.9 t80 -37.88 -53.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.2 OUTLIER -65.87 -46.46 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.427 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -49.93 -51.73 38.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 485' ' ' PHE . 7.4 mp -76.67 -55.21 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 35.4 t -40.38 -48.24 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -38.2 -57.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.3 p -173.62 105.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 30.5 m -122.07 122.37 39.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . 0.465 ' CE1' ' HE ' ' A' ' 534' ' ' ARG . 1.5 m80 -111.04 118.9 37.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.4 tp -129.94 114.61 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.502 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.9 m-85 57.33 39.91 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.14 36.11 84.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -143.67 146.39 33.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.465 ' HE ' ' CE1' ' A' ' 529' ' ' HIS . 13.3 tpp85 -98.3 121.01 39.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 466' ' ' VAL . 71.3 mt -85.85 143.65 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.4 t -97.85 127.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 2.1 mm? -99.91 116.06 31.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -129.52 157.98 40.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.493 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 94.8 m95 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.947 0.403 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.4 mtmm -146.68 120.69 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 482' ' ' PHE . 78.0 mt -104.44 109.05 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.13 98.47 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.759 HG13 HD11 ' A' ' 469' ' ' ILE . 4.9 p -83.94 110.03 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . 0.867 HH12 HG11 ' A' ' 536' ' ' VAL . 5.4 ttp-105 -101.31 164.82 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 15.0 t30 71.31 43.0 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.759 HD11 HG13 ' A' ' 466' ' ' VAL . 81.9 mt -83.75 134.03 45.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 54.1 Cg_endo -69.73 160.53 49.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -54.36 -51.11 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -54.45 -49.56 69.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -50.19 107.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -115.71 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' A' ' 493' ' ' LEU . 12.9 tp60 -40.01 -66.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 477' ' ' GLU . 7.2 ttm105 -44.72 -61.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 476' ' ' ARG . 23.5 mm-40 -34.43 -54.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 493' ' ' LEU . 4.1 mm -63.7 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.493 ' O ' HD11 ' A' ' 488' ' ' LEU . 17.2 ttp180 -36.53 -64.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 481' ' ' LEU . 9.3 pt-20 -63.83 -49.25 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 480' ' ' GLU . 16.4 tp -35.35 -43.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 509' ' ' VAL . 46.7 m-85 -94.58 -42.58 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.0 t -40.7 -42.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 62.3 m -40.37 -47.73 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 520' ' ' ALA . 49.4 m-85 -65.57 -42.88 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -177.78 175.56 47.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.46 143.01 54.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 479' ' ' ARG . 36.6 mt -107.63 153.77 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.767 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.1 OUTLIER -81.73 -53.15 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 11.4 t -168.9 135.54 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 71.8 t -100.81 135.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -128.37 123.04 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 478' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.857 0.36 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -67.92 71.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 506' ' ' PHE . 2.0 p90 -164.69 123.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.65 146.58 17.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.63 128.03 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 482' ' ' PHE . 79.0 t -118.34 132.15 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.31 142.01 47.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -114.51 164.67 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.767 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.4 mm -77.43 -36.09 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.9 p -133.72 146.21 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 517' ' ' ALA . 24.6 mtpp -51.31 -52.15 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 514' ' ' LYS . 39.7 mt-30 -35.91 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -44.06 -38.37 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 514' ' ' LYS . . . -66.77 -40.66 88.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.2 -50.26 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 14.0 ptpt -67.23 -36.62 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -61.91 -55.99 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 525' ' ' CYS . 9.4 t80 -61.34 -52.74 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -54.65 -28.72 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 485' ' ' PHE . . . -81.57 -56.91 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.526 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.9 mp -64.23 -56.06 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 521' ' ' PHE . 4.4 p -46.33 -27.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.74 -45.41 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.1 t -174.27 108.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 96.2 m -125.22 125.43 43.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -119.67 119.49 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 16.3 tp -135.25 114.54 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.519 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 65.1 m-85 55.89 48.48 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 59.95 36.73 91.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -140.18 154.69 47.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -106.88 100.77 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.34 149.35 42.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.867 HG11 HH12 ' A' ' 467' ' ' ARG . 24.4 t -102.97 121.84 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 3.4 mm? -97.74 123.64 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -149.88 131.06 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.5 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.922 0.391 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -141.99 110.69 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.644 HD12 ' CE1' ' A' ' 511' ' ' PHE . 55.3 mt -104.93 114.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.723 HD13 ' CE1' ' A' ' 508' ' ' PHE . 17.1 tp -108.3 106.31 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.725 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -91.36 120.54 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -111.54 173.02 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 19.9 t30 58.8 45.31 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.725 HD11 HG13 ' A' ' 466' ' ' VAL . 73.3 mt -86.97 135.39 35.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.76 148.13 64.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.52 -38.25 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.78 -49.81 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -54.11 123.33 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -114.51 176.95 4.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD22 ' A' ' 493' ' ' LEU . 4.8 tt0 -48.0 -52.13 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -52.19 -55.94 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -44.1 -51.4 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.29 -51.88 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.408 ' HG3' HG21 ' A' ' 491' ' ' VAL . 34.4 ttp85 -47.25 -49.08 24.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 481' ' ' LEU . 5.4 pt-20 -74.09 -33.33 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 480' ' ' GLU . 12.4 tp -59.0 -35.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 488' ' ' LEU . 68.4 m-85 -97.94 -41.52 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 486' ' ' GLY . 47.7 t -46.82 -48.96 20.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 9.9 t -39.18 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 524' ' ' LEU . 57.3 m-85 -85.94 -40.5 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -177.24 177.27 48.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.68 134.81 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 482' ' ' PHE . 80.4 mt -104.91 137.83 42.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 512' ' ' ILE . 32.4 mttt -67.93 -49.53 61.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 13.0 t -172.41 136.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.441 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.9 t -99.89 134.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -124.32 125.63 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 475' ' ' GLN . 4.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -76.07 67.59 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -157.53 140.65 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.416 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -156.32 150.34 21.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.723 ' CE1' HD13 ' A' ' 465' ' ' LEU . 17.2 m-85 -114.02 139.19 49.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 482' ' ' PHE . 22.5 t -132.88 124.51 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -110.91 141.07 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 464' ' ' ILE . 21.3 m-85 -111.56 162.47 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.607 HD13 ' HG2' ' A' ' 489' ' ' LYS . 34.0 mm -73.44 -43.92 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 18.2 p -113.07 -179.38 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -43.44 11.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -52.4 -62.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -48.1 -37.3 14.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.79 75.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -76.65 -57.03 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 1.9 ptpp? -54.25 -37.12 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -73.69 -55.37 6.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 539' ' ' TRP . 22.3 t80 -44.63 -54.29 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.6 OUTLIER -70.24 -44.34 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -46.13 -54.14 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.0 mp -77.05 -54.39 6.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 37.6 t -34.57 -53.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -37.49 -65.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 88.5 p -155.06 107.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.0 m -125.68 106.43 9.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -106.96 120.72 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.1 tp -133.99 122.13 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.445 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 54.53 33.77 19.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.46 36.33 49.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -140.99 145.19 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.67 99.2 10.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.18 144.94 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.77 125.51 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.05 127.12 51.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.15 146.3 40.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.479 ' CD1' ' CZ ' ' A' ' 521' ' ' PHE . 96.4 m95 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.966 0.413 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . 0.55 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 16.1 ttmm -139.14 117.02 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 482' ' ' PHE . 96.7 mt -94.13 110.94 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.16 101.83 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.998 HG13 HD11 ' A' ' 469' ' ' ILE . 7.3 p -87.87 126.49 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -115.5 166.15 12.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.7 t30 69.63 34.18 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.998 HD11 HG13 ' A' ' 466' ' ' VAL . 75.3 mt -75.66 134.47 72.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 139.95 41.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 471' ' ' PHE . 6.9 t80 -48.4 -42.21 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -55.64 -38.4 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -66.03 141.61 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -132.42 -179.44 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 493' ' ' LEU . 34.0 tt0 -47.27 -54.38 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -53.58 -54.34 38.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -41.86 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.1 mm -61.85 -47.88 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.577 ' HG3' HG21 ' A' ' 491' ' ' VAL . 24.2 mtp180 -42.47 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.88 -35.81 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.65 -43.62 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 464' ' ' ILE . 80.4 m-85 -95.69 -52.18 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 482' ' ' PHE . 3.0 p -36.48 -31.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 482' ' ' PHE . 77.8 m -54.64 -48.49 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.5 ' CE1' HD21 ' A' ' 524' ' ' LEU . 42.0 m-85 -64.7 -43.65 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -166.4 174.27 41.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.78 140.47 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.3 mt -107.2 163.34 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.688 ' HG2' HD13 ' A' ' 512' ' ' ILE . 15.5 mttm -97.22 -50.62 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.8 t -173.87 131.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.577 HG21 ' HG3' ' A' ' 479' ' ' ARG . 56.3 t -102.73 127.55 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -115.71 124.65 51.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 475' ' ' GLN . 2.6 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.728 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.65 61.23 4.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -162.8 138.18 6.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.02 145.92 17.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.55 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 25.6 m-85 -106.08 125.73 51.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.48 130.79 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -114.68 144.94 42.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.422 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.2 m-85 -113.99 160.52 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.688 HD13 ' HG2' ' A' ' 489' ' ' LYS . 48.4 mm -70.6 -45.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 68.5 p -125.73 137.62 53.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -44.7 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -52.49 -59.34 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -48.49 -40.94 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.78 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -49.88 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -51.08 -58.65 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -54.79 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 521' ' ' PHE . 5.5 t80 -40.49 -40.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -58.7 -46.97 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 485' ' ' PHE . 4.4 mm? -54.58 -59.15 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 526' ' ' HIS . 45.9 t -41.72 -53.14 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 525' ' ' CYS . 6.7 t60 -36.62 -57.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 59.9 p -169.83 114.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 535' ' ' LEU . 22.6 m -125.43 105.76 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.56 118.48 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.2 tp -130.69 121.86 26.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.2 m-85 52.03 49.98 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 58.33 35.87 80.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -141.01 155.02 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -102.58 120.27 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 528' ' ' THR . 87.8 mt -86.52 154.49 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.24 129.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.08 125.88 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.68 133.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.2 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 514' ' ' LYS . 19.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.947 0.403 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -145.43 138.9 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.668 HG21 ' CE1' ' A' ' 482' ' ' PHE . 63.7 mt -119.97 115.54 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.697 HD13 ' CE1' ' A' ' 508' ' ' PHE . 10.8 tp -110.39 107.91 17.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.882 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -93.55 119.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -106.29 167.5 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.8 t30 68.23 39.83 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.882 HD11 HG13 ' A' ' 466' ' ' VAL . 96.9 mt -83.85 130.72 54.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' PHE . 53.7 Cg_endo -69.79 132.34 23.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' PRO . 10.8 t80 -37.59 -46.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -49.9 -47.68 52.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -48.79 138.93 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -129.84 163.77 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -47.31 -35.52 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -65.92 -53.17 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -48.88 -49.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 13.6 mm -64.38 -47.42 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.451 ' HA ' HG21 ' A' ' 491' ' ' VAL . 8.7 ttp85 -44.12 -60.85 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.65 -31.01 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.43 -39.11 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 464' ' ' ILE . 40.5 m-85 -94.93 -52.43 4.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 486' ' ' GLY . 7.4 p -43.95 -46.63 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 483' ' ' SER . 9.0 t -38.03 -34.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' A' ' 523' ' ' ALA . 32.3 m-85 -78.14 -43.09 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -165.49 -169.48 29.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.467 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.05 134.86 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 511' ' ' PHE . 34.3 mt -107.23 145.9 32.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.631 ' CG ' HD13 ' A' ' 512' ' ' ILE . 33.2 mttt -80.25 -50.15 10.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 5.2 t -173.78 132.74 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.453 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.5 t -99.05 126.93 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -115.41 112.24 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.453 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.3 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.37 60.84 2.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 1.7 p90 -158.23 127.84 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.79 144.47 15.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.697 ' CE1' HD13 ' A' ' 465' ' ' LEU . 29.9 m-85 -107.75 131.15 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.31 132.43 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -111.95 134.73 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.8 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 9.0 m-85 -107.88 163.08 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.631 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.6 mm -65.69 -43.54 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . 0.428 HG23 ' OD2' ' A' ' 516' ' ' ASP . 0.0 OUTLIER -142.05 157.1 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 462' ' ' SER . 25.4 mttm -57.92 -36.46 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -52.17 -48.3 65.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 513' ' ' THR . 54.6 m-20 -69.56 -57.55 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.8 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -51.6 -27.19 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -74.62 -59.96 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 16.9 ptmt -55.89 -43.5 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -61.17 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 537' ' ' LEU . 8.9 t80 -59.47 -38.18 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -70.78 -27.95 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 485' ' ' PHE . . . -87.8 -20.56 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 28.7 mt -98.22 -58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 14.2 p -40.72 -27.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 524' ' ' LEU . 2.3 t-160 -50.35 -61.17 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 t -170.48 109.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.7 123.44 47.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.44 122.22 46.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.0 tp -141.11 122.65 15.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.414 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.2 m-85 51.27 41.14 27.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 64.7 36.43 93.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -138.02 140.09 39.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -95.03 100.4 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.05 147.06 53.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.45 113.51 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 7.0 mp -90.97 133.13 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -144.84 136.96 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 42.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -146.73 132.14 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 18.9 mt -120.94 107.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 506' ' ' PHE . 10.5 tp -97.26 109.25 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 469' ' ' ILE . 4.5 p -94.32 135.99 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 467' ' ' ARG . 10.6 mtp-105 -125.66 177.66 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 9.8 t30 56.97 40.29 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.769 HD11 HG13 ' A' ' 466' ' ' VAL . 37.6 mt -82.79 134.95 46.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.5 Cg_endo -69.79 139.12 39.35 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -48.09 -38.59 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -58.4 -42.19 86.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -64.91 126.8 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -116.74 172.64 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.459 ' HA ' HD22 ' A' ' 493' ' ' LEU . 21.8 tt0 -40.0 -45.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -64.46 -44.71 90.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -49.37 -51.58 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.436 HG13 HD21 ' A' ' 493' ' ' LEU . 20.2 mm -65.41 -42.74 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.586 ' HG3' HG21 ' A' ' 491' ' ' VAL . 55.9 mtt180 -46.26 -67.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.91 -36.76 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 tp -47.42 -55.92 7.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.964 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.4 m-85 -83.69 -47.6 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 25.2 t -42.34 -25.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.802 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 482' ' ' PHE . 20.8 m -54.31 -42.82 70.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' A' ' 524' ' ' LEU . 95.1 m-85 -70.9 -42.32 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -167.68 168.92 40.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.17 138.0 58.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 94.1 mt -103.42 154.98 18.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.532 ' HG2' HD13 ' A' ' 512' ' ' ILE . 35.0 mttt -86.03 -47.18 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.5 t -172.88 133.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.586 HG21 ' HG3' ' A' ' 479' ' ' ARG . 83.3 t -103.07 117.04 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -106.56 118.44 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.555 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -78.61 76.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -162.36 140.36 8.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -167.66 156.29 27.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -107.17 140.64 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.45 129.93 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.11 146.45 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.6 m-85 -119.3 141.24 49.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.532 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.8 mm -49.41 -40.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 40.4 p -127.32 150.48 49.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -61.46 -47.94 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -43.35 -42.51 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . 0.499 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 38.8 m-20 -68.45 -46.92 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.13 -53.68 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -63.11 -44.8 94.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -54.87 -58.0 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.08 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 46.1 t80 -45.7 -64.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -58.9 -43.74 91.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.83 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.964 HD12 ' CE2' ' A' ' 482' ' ' PHE . 62.0 mt -71.99 -53.19 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 1.2 t -34.33 -53.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 525' ' ' CYS . 43.2 t-80 -35.72 -59.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 92.6 p -171.6 108.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 9.9 m -122.96 111.12 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . 0.405 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.3 m-70 -109.71 118.37 36.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.1 tp -128.62 130.43 47.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.8 m-85 50.46 27.22 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.41 30.15 41.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -135.41 133.28 38.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.405 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 2.4 tmt_? -84.84 99.14 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.3 158.66 16.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.8 131.17 70.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.4 mm? -100.84 113.69 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.65 139.14 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.664 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 95.6 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -132.14 116.21 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 482' ' ' PHE . 91.5 mt -89.44 107.54 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.65 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -102.76 104.12 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.605 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.5 149.01 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -138.85 173.05 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.39 35.97 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 470' ' ' PRO . 44.4 mt -81.13 138.0 49.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.675 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 53.4 Cg_endo -69.78 176.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.22 -57.37 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -48.33 -35.75 12.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.675 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -52.62 116.35 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -116.01 171.7 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 475' ' ' GLN . 0.1 OUTLIER -53.44 -37.56 62.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -63.56 -42.57 98.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.76 -44.22 97.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.562 HG13 HD21 ' A' ' 493' ' ' LEU . 10.4 mm -71.1 -54.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.537 ' O ' HD11 ' A' ' 488' ' ' LEU . 44.7 ttt180 -41.85 -53.53 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.26 -42.45 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 tp -45.57 -40.37 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 464' ' ' ILE . 72.2 m-85 -94.43 -46.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 482' ' ' PHE . 23.0 t -37.24 -39.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 18.0 m -48.26 -50.37 29.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.402 ' CE1' HD21 ' A' ' 524' ' ' LEU . 39.7 m-85 -64.1 -42.1 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.91 168.75 41.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.16 140.77 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 479' ' ' ARG . 39.5 mt -103.77 152.36 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.863 ' HG2' HD13 ' A' ' 512' ' ' ILE . 27.3 mmtt -87.33 -38.78 15.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.9 t -174.03 147.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.449 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 41.3 t -118.54 111.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -104.22 119.99 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.562 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.07 62.95 2.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -160.43 170.9 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -174.5 145.57 8.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.7 m-85 -105.18 117.7 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 482' ' ' PHE . 40.0 t -113.62 130.85 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 148.41 38.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 12.6 m-85 -118.09 145.4 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.863 HD13 ' HG2' ' A' ' 489' ' ' LYS . 40.8 mm -56.34 -42.7 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 36.1 p -119.4 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -47.81 -50.03 27.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -43.45 -61.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 86.8 m-20 -41.87 -56.64 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.4 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.62 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -44.7 -63.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -49.81 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.611 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 85.2 t80 -34.85 -42.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.65 -61.19 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.75 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.489 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.0 mm? -50.46 -53.99 25.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.47 -35.02 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -43.79 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.8 p -170.84 105.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.0 m -123.41 98.22 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.87 121.11 35.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -130.52 116.54 18.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.465 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 80.3 m-85 62.33 32.01 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.05 31.18 66.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -137.72 126.33 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -75.33 124.2 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 469' ' ' ILE . 58.5 mt -91.15 153.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 50.6 t -115.1 138.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.71 130.05 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -147.03 145.26 29.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.611 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 95.9 m95 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.977 0.417 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -146.52 115.37 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.53 111.97 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.6 tp -101.42 107.32 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 469' ' ' ILE . 3.3 p -90.55 111.43 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -101.06 163.46 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 42.4 t30 67.19 48.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 466' ' ' VAL . 48.4 mt -85.99 128.36 58.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.74 33.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -41.93 -50.79 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -46.09 -47.88 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -53.55 142.04 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -132.03 162.95 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' A' ' 493' ' ' LEU . 0.5 OUTLIER -41.94 -51.7 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.13 -44.51 79.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.33 -47.93 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.4 mm -66.7 -54.02 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -41.1 -53.97 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.51 -36.54 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.4 tp -51.1 -51.79 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 488' ' ' LEU . 85.2 m-85 -84.65 -46.23 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 47.0 t -41.51 -33.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 29.0 m -54.19 -49.0 70.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.86 -43.47 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -168.06 172.38 42.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.17 138.19 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 482' ' ' PHE . 85.7 mt -107.35 144.22 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.478 ' CG ' HD13 ' A' ' 512' ' ' ILE . 27.8 mttm -75.0 -44.1 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -172.98 149.87 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.446 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 24.8 t -119.7 123.07 70.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -115.52 121.66 43.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -90.47 62.55 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -161.64 142.11 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.45 147.55 18.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 465' ' ' LEU . 14.4 m-85 -110.58 127.09 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 482' ' ' PHE . 69.0 t -123.87 139.09 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.16 152.1 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 10.2 m-85 -121.9 148.09 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.478 HD13 ' CG ' ' A' ' 489' ' ' LYS . 46.3 mm -53.61 -44.08 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 37.2 p -131.55 176.05 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.86 -34.95 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.45 -61.81 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -61.62 -44.01 97.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.18 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -55.86 -54.9 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -48.32 -71.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -40.07 -66.13 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 521' ' ' PHE . 5.8 t80 -43.89 -55.93 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -46.44 -34.04 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -82.01 -48.38 11.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.517 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.3 mm? -60.27 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 14.1 p -49.98 -45.92 52.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.455 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 20.9 t-80 -37.38 -56.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -174.5 105.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 90.2 m -125.21 120.67 31.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.9 m-70 -119.23 117.06 27.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 12.6 tp -125.0 121.26 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 58.41 32.45 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.84 31.99 57.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -138.35 124.88 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -78.29 104.71 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.04 147.61 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.23 118.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.417 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 4.7 mp -98.72 134.57 41.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.47 137.42 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.3 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -146.18 122.01 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.482 HG21 ' CE2' ' A' ' 482' ' ' PHE . 66.8 mt -110.08 107.44 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 507' ' ' GLY . 13.6 tp -105.23 113.94 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 469' ' ' ILE . 2.6 p -94.83 132.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -120.99 166.33 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 21.0 t30 67.64 38.68 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 466' ' ' VAL . 67.0 mt -83.7 133.14 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.77 145.67 57.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -49.74 -35.87 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 531' ' ' TYR . 23.8 mm-40 -58.46 -44.03 89.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -46.72 142.43 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 475' ' ' GLN . 94.0 m-20 -132.0 153.69 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.602 ' HA ' HD13 ' A' ' 493' ' ' LEU . 36.1 tt0 -38.26 -46.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.83 -45.4 86.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 477' ' ' GLU . 0.1 OUTLIER -48.22 -51.75 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.44 -52.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 488' ' ' LEU . 23.4 ttt180 -41.71 -64.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.31 -46.3 86.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 484' ' ' THR . 20.2 tp -40.69 -42.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.538 ' CE2' ' HG ' ' A' ' 524' ' ' LEU . 60.6 m-85 -92.34 -32.14 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.2 t -53.66 -26.44 22.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 481' ' ' LEU . 4.0 t -62.15 -32.7 73.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 524' ' ' LEU . 74.3 m-85 -79.94 -40.98 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -169.48 -171.17 34.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -79.12 137.64 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 479' ' ' ARG . 41.2 mt -106.12 143.59 34.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.901 ' HG2' HD13 ' A' ' 512' ' ' ILE . 7.8 mmtm -75.26 -56.09 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.7 t -164.35 140.97 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 479' ' ' ARG . 72.0 t -105.52 135.6 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -128.04 124.06 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.602 HD13 ' HA ' ' A' ' 475' ' ' GLN . 4.2 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.884 0.373 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.3 61.65 4.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -157.0 133.23 9.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.63 141.52 10.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -104.6 136.12 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.27 122.38 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.66 147.11 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 7.2 m-85 -118.66 157.65 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.901 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.7 mm -66.44 -50.72 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 75.1 p -123.25 173.36 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -75.32 -57.34 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -38.96 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -54.17 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.23 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -44.64 -61.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -48.63 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -39.64 -67.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 537' ' ' LEU . 13.1 t80 -45.39 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -42.38 -29.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -88.17 -35.95 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 485' ' ' PHE . 2.4 mm? -73.05 -55.47 6.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 521' ' ' PHE . 14.6 p -48.29 -31.58 6.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -50.28 -58.09 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.1 t -166.72 106.33 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.4 m -122.59 94.79 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -101.62 135.4 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.3 tp -147.19 127.08 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.0 m-85 52.39 31.07 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.75 19.61 70.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -130.49 122.99 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.499 ' CG ' ' CE1' ' A' ' 529' ' ' HIS . 1.2 tmt_? -83.12 104.54 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.54 HD13 HG21 ' A' ' 466' ' ' VAL . 45.4 mt -62.08 161.16 11.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.1 t -113.59 130.68 67.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 2.6 mm? -98.78 117.74 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -138.64 134.17 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 74.5 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 482' ' ' PHE . 47.2 mt -102.58 111.09 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.8 tp -108.97 100.13 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.823 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.75 124.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -111.53 171.1 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 28.8 t30 62.82 35.94 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.823 HD11 HG13 ' A' ' 466' ' ' VAL . 86.3 mt -74.35 130.19 82.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.6 57.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.96 -13.32 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -86.78 -11.48 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -97.12 123.69 40.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.79 171.23 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -47.37 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -53.76 -49.96 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.76 -53.94 40.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.98 -47.77 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -46.38 -56.87 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.2 tp -52.61 -40.21 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.675 ' CE1' HG21 ' A' ' 464' ' ' ILE . 61.7 m-85 -95.75 -45.53 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 486' ' ' GLY . 35.2 t -39.64 -51.08 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 61.7 m -38.27 -41.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 22.8 m-85 -69.59 -39.02 77.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 483' ' ' SER . . . 179.82 179.15 48.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.64 137.24 57.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 482' ' ' PHE . 18.8 mt -105.26 157.51 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.777 ' HG2' HD13 ' A' ' 512' ' ' ILE . 21.5 mttm -86.69 -51.24 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 134.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.0 t -98.0 111.89 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -108.64 119.41 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.9 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.726 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.04 68.29 1.68 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -164.28 137.84 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.85 134.78 6.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.5 m-85 -100.6 115.94 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.38 139.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.95 147.14 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.559 ' HE2' HD12 ' A' ' 464' ' ' ILE . 12.3 m-85 -118.49 149.25 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.777 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.9 mm -60.87 -42.76 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 1.6 p -118.83 178.61 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -86.95 -38.72 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -50.56 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.1 -41.94 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -57.02 -55.52 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.51 -55.86 28.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -48.11 -58.34 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -60.83 -34.79 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.626 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 91.3 t80 -59.36 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.445 ' OD1' ' NE2' ' A' ' 526' ' ' HIS . 2.0 p30 -68.6 -45.06 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.91 -55.69 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 525' ' ' CYS . 17.9 mt -73.12 -52.84 12.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -36.3 -47.95 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 522' ' ' ASN . 11.6 m-70 -41.49 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 62.5 m -146.45 106.13 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . 0.535 ' CG2' HD12 ' A' ' 535' ' ' LEU . 38.6 m -122.99 96.29 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -98.33 117.75 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.7 tp -132.37 114.86 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.489 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 70.7 m-85 57.4 46.28 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 61.43 22.06 60.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -135.08 125.89 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -76.33 147.35 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 466' ' ' VAL . 72.0 mt -110.17 135.05 51.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.28 109.81 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.97 121.25 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -136.59 156.36 48.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.626 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 89.4 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.898 0.38 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -142.59 127.01 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 482' ' ' PHE . 57.5 mt -107.87 115.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.03 106.39 14.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.422 HG13 HD11 ' A' ' 469' ' ' ILE . 5.0 p -89.23 124.56 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -115.06 172.34 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 505' ' ' GLY . 15.8 t30 59.72 43.5 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.422 HD11 HG13 ' A' ' 466' ' ' VAL . 7.9 mt -82.94 132.66 50.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.76 63.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -55.61 -41.24 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.81 -39.21 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.08 141.71 58.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 477' ' ' GLU . 1.0 OUTLIER -128.41 166.15 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -44.03 -52.72 6.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.88 -49.04 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.428 ' H ' ' ND2' ' A' ' 474' ' ' ASN . 42.5 tp10 -52.56 -45.55 66.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 493' ' ' LEU . 42.9 mm -65.63 -47.3 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 491' ' ' VAL . 45.8 ttp85 -52.11 -53.41 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.54 -33.02 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 484' ' ' THR . 22.5 tp -54.28 -44.31 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 509' ' ' VAL . 74.5 m-85 -91.25 -37.12 13.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 15.7 t -53.74 -35.24 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 481' ' ' LEU . 5.5 t -58.14 -16.1 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 524' ' ' LEU . 53.1 m-85 -97.8 -42.88 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -163.38 -177.45 36.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 512' ' ' ILE . 4.6 tp10 -70.39 134.95 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 38.0 mt -103.75 147.19 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 512' ' ' ILE . 43.7 mttt -89.27 -47.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.7 t -174.13 138.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 36.6 t -112.71 132.86 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -121.71 120.67 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.671 HD21 HG13 ' A' ' 478' ' ' ILE . 3.0 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 506' ' ' PHE . 4.6 tpt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -77.79 50.38 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -148.16 145.16 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -148.82 141.7 9.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -99.14 127.68 45.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 482' ' ' PHE . 59.8 t -127.75 116.23 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 22.6 t0 -105.95 149.16 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 6.9 m-85 -117.83 158.84 24.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.77 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.1 mm -69.15 -41.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 71.1 p -119.25 177.7 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -87.42 -55.69 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -41.05 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -75.7 -66.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -40.0 -40.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -40.48 -51.38 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.99 -45.5 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.58 -51.24 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 485' ' ' PHE . 10.7 mp -79.99 -53.92 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 524' ' ' LEU . 39.4 t -36.13 -56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 525' ' ' CYS . 70.8 t60 -35.99 -58.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.1 t -163.92 106.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 86.1 m -126.14 111.91 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.5 117.77 32.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.4 tp -123.94 130.33 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.531 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.7 m-85 44.13 36.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.66 31.19 65.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -89.02 110.01 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.34 141.07 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 538' ' ' GLU . 89.6 t -105.27 116.09 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.84 132.6 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . 0.464 ' CD ' HG12 ' A' ' 536' ' ' VAL . 3.3 mp0 -143.11 167.68 21.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 96.7 m95 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -141.29 105.09 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 51.0 mt -95.52 109.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.1 tp -104.08 99.13 8.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' VAL . . . . . 0.904 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -86.17 121.25 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -110.95 172.59 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' ASN . . . . . 0.466 ' O ' HD23 ' A' ' 535' ' ' LEU . 12.6 t30 62.96 42.11 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' ILE . . . . . 0.904 HD11 HG13 ' A' ' 466' ' ' VAL . 41.8 mt -88.64 136.23 31.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.637 0.732 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.75 142.55 48.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -46.13 -42.26 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.99 -42.41 68.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -48.21 128.88 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -127.09 162.31 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -67.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -42.99 -33.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -63.62 -54.62 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 22.5 mm -68.3 -37.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.687 ' HG2' HG21 ' A' ' 491' ' ' VAL . 0.0 OUTLIER -51.89 -58.6 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.47 -30.31 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 484' ' ' THR . 20.5 tp -56.47 -43.31 79.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 524' ' ' LEU . 53.8 m-85 -93.77 -45.6 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 479' ' ' ARG . 10.6 t -44.34 -36.71 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 485' ' ' PHE . 9.1 t -44.48 -43.36 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . 0.522 ' CD1' HG23 ' A' ' 484' ' ' THR . 65.9 m-85 -67.86 -35.77 79.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 174.75 -179.26 46.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.46 142.79 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 479' ' ' ARG . 78.1 mt -107.33 157.52 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' LYS . . . . . 0.839 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.1 mmtp -87.5 -45.98 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.2 t -169.95 133.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' VAL . . . . . 0.687 HG21 ' HG2' ' A' ' 479' ' ' ARG . 25.2 t -103.99 105.07 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -104.03 131.04 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.0 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.905 0.384 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -75.91 66.57 2.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -162.38 134.9 5.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -141.56 144.09 13.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.15 119.49 39.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 482' ' ' PHE . 68.5 t -121.76 125.99 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.69 149.02 41.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -115.7 172.46 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.839 HD13 ' HG2' ' A' ' 489' ' ' LYS . 38.6 mm -83.39 -44.49 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 73.0 p -119.17 142.23 48.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -48.92 -60.54 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -39.47 -57.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.31 -40.74 26.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -72.06 -39.65 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.41 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 15.3 ptpt -66.93 -38.39 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.6 ' O ' HD13 ' A' ' 524' ' ' LEU . . . -72.71 -32.67 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' PHE . . . . . 0.486 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 14.8 t80 -71.85 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 522' ' ' ASN . 0.2 OUTLIER -58.27 -38.06 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.27 61.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' LEU . . . . . 0.774 HD22 ' CE1' ' A' ' 482' ' ' PHE . 10.8 mp -68.5 -59.34 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 1.2 p -40.08 -41.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' HIS . . . . . 0.43 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 6.6 m170 -46.69 -50.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 57.2 p -172.46 106.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 535' ' ' LEU . 14.5 m -124.95 109.19 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.37 122.45 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 9.0 tp -132.16 127.21 35.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . 0.516 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 79.6 m-85 53.08 28.81 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.63 37.66 39.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -132.74 151.39 52.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -100.21 100.32 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 528' ' ' THR . 45.2 mt -75.47 137.52 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.94 128.22 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.97 117.4 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -140.41 137.01 33.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' TRP . . . . . 0.486 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 77.8 m95 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 43.8 t -120.17 92.3 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 36.8 m -109.66 95.6 5.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -112.84 60.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 72.3 p -100.05 84.91 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.2 m -156.79 168.93 25.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 133.62 156.46 8.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.417 ' CD ' ' H ' ' A' ' 454' ' ' GLN . 13.3 mp0 -49.3 178.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 30.1 m -45.65 147.39 1.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 137.78 36.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 458' ' ' LYS . 39.6 mttt -93.26 143.65 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 457' ' ' LYS . 33.5 mttp -37.33 -60.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -85.92 129.17 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 12.3 t -89.61 153.36 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.5 m -60.9 107.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 77.3 p -99.7 88.9 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -144.2 112.39 6.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 511' ' ' PHE . 96.5 mt -95.67 109.51 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 507' ' ' GLY . 15.2 tp -105.11 103.82 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -85.35 120.0 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -111.67 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.8 t30 60.43 41.84 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 470' ' ' PRO . 75.1 mt -84.5 138.6 38.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.4 Cg_endo -69.72 150.55 68.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.24 -11.68 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -86.73 -25.21 24.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -69.17 141.6 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -132.4 170.33 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 493' ' ' LEU . 1.1 tm0? -44.59 -61.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -51.97 -39.96 60.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -52.23 -56.81 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 479' ' ' ARG . 37.3 mm -68.23 -47.78 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.938 ' HA ' HG21 ' A' ' 491' ' ' VAL . 0.2 OUTLIER -37.84 -64.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.55 -48.16 70.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.5 tp -37.78 -38.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.733 ' CE2' HD12 ' A' ' 524' ' ' LEU . 31.9 m-85 -98.57 -42.41 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.492 ' N ' HD11 ' A' ' 488' ' ' LEU . 7.5 t -46.43 -44.73 17.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 6.0 t -45.24 -33.35 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.23 -34.98 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 179.32 173.41 44.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . 0.42 ' HG3' HD11 ' A' ' 512' ' ' ILE . 19.3 tp10 -62.01 131.79 50.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 483' ' ' SER . 75.0 mt -105.82 128.27 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.531 ' HG2' HD13 ' A' ' 512' ' ' ILE . 36.2 mmtt -55.37 -52.5 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.9 t -169.41 129.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.938 HG21 ' HA ' ' A' ' 479' ' ' ARG . 20.2 t -100.8 110.54 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -102.96 131.89 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp -140.45 147.12 48.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.15 24.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.393 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -114.18 136.09 53.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.699 ' HB2' ' HB1' ' A' ' 502' ' ' ALA . 25.7 ttmt -46.61 129.25 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 499' ' ' GLY . 1.9 tmt? -127.9 150.06 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 28.2 m -39.81 95.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 152.88 -178.88 29.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 72.8 p -67.03 139.22 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 81.31 124.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 496' ' ' LYS . . . -95.03 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.567 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.7 t-80 -114.9 110.37 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.567 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 13.5 mmt180 -64.79 -178.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -104.13 61.21 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -158.41 136.5 10.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.39 144.85 14.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -107.95 127.39 53.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 33.7 t -127.24 122.28 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 489' ' ' LYS . 39.7 t0 -111.18 137.48 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 12.8 m-85 -105.8 163.97 12.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.5 mm -69.13 -44.45 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 65.9 p -129.58 160.72 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -57.56 -45.83 84.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.56 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -45.19 -34.86 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -73.5 -36.21 65.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.61 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 16.4 ptmt -61.15 -41.28 96.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.06 -54.14 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -44.87 -51.28 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -73.01 -45.09 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -45.68 -35.79 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.733 HD12 ' CE2' ' A' ' 482' ' ' PHE . 94.3 mt -99.42 -53.12 3.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 524' ' ' LEU . 41.4 t -35.15 -52.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 525' ' ' CYS . 13.5 t-160 -35.34 -61.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 63.9 p -166.2 106.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 37.4 m -125.61 114.58 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 0.3 OUTLIER -110.49 120.6 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.2 tp -129.63 118.05 21.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.486 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 69.6 m-85 61.57 31.76 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.32 28.43 57.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -134.56 135.26 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.546 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.1 tmm_? -86.95 99.19 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 93.8 mt -60.19 150.58 29.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.6 t -118.17 106.71 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -88.38 126.69 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -144.73 147.64 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -78.81 110.56 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -43.78 128.56 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.86 127.54 32.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.2 t -102.43 157.26 17.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.19 138.03 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 544' ' ' VAL . 0.2 OUTLIER -76.89 114.18 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 545' ' ' THR . 7.5 t -124.04 118.63 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.15 122.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.08 158.76 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 11.5 t -101.41 -64.66 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.73 146.25 39.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -177.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.2 m -107.9 88.96 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 t -72.53 90.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.1 m -79.79 93.96 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 3.1 m -45.25 -58.81 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 84.52 92.2 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 35.1 p -88.53 -54.63 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.395 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 82.5 p 42.7 40.19 1.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -94.25 77.79 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -173.28 140.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.07 146.62 37.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 166.53 27.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.47 75.02 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 29.6 mttp 61.92 34.58 16.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -141.65 132.15 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 68.4 m -108.35 138.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 11.0 t -133.0 148.68 52.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 63.7 p -112.13 86.63 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -133.76 118.09 17.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 511' ' ' PHE . 75.0 mt -110.22 108.13 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.5 tp -108.42 108.22 19.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.928 HG13 HD11 ' A' ' 469' ' ' ILE . 7.2 p -92.03 129.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -117.85 170.51 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 505' ' ' GLY . 22.7 t30 63.73 44.22 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.928 HD11 HG13 ' A' ' 466' ' ' VAL . 85.9 mt -87.13 138.42 32.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.734 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.71 143.52 51.32 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.686 2.258 . . . . 0.0 112.394 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.34 -38.48 63.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -58.32 -43.95 88.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -57.53 138.75 54.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -131.77 177.56 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.528 ' HA ' HD22 ' A' ' 493' ' ' LEU . 27.3 tt0 -45.57 -64.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -41.67 -43.92 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.427 ' OE2' HD13 ' A' ' 481' ' ' LEU . 5.3 tm-20 -55.05 -58.75 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 35.9 mm -56.88 -44.01 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 491' ' ' VAL . 7.9 mtp85 -48.82 -70.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.61 -36.34 71.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 484' ' ' THR . 19.7 tp -47.12 -54.83 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 524' ' ' LEU . 54.8 m-85 -86.24 -49.36 7.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 482' ' ' PHE . 44.3 t -36.75 -40.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 481' ' ' LEU . 6.7 t -45.55 -48.44 14.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.52 ' N ' HG23 ' A' ' 484' ' ' THR . 36.6 m-85 -64.72 -43.33 93.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.32 172.47 44.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -59.59 139.93 56.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 482' ' ' PHE . 59.8 mt -107.18 152.38 24.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.429 ' CG ' HD13 ' A' ' 512' ' ' ILE . 23.5 mttm -81.92 -46.41 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.5 t -174.86 136.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 493' ' ' LEU . 70.4 t -105.68 112.31 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -103.06 120.7 41.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.678 ' CD1' HG12 ' A' ' 491' ' ' VAL . 4.4 mp -130.06 143.99 51.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.62 5.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -117.39 105.17 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -86.57 145.84 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 6.9 mmm -103.69 -61.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 33.2 p -67.21 143.41 56.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 98.53 -154.99 20.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 56.3 m -128.92 75.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.13 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 63.24 84.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -113.31 40.88 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.479 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.5 t-80 -69.8 113.21 6.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.479 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 10.8 ttt-85 -65.6 165.69 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -88.77 60.37 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -151.14 138.24 19.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -151.54 139.96 7.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -99.89 132.12 45.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 94.6 t -128.8 126.66 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -111.0 145.53 38.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 464' ' ' ILE . 10.4 m-85 -115.16 156.79 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.429 HD13 ' CG ' ' A' ' 489' ' ' LYS . 32.8 mm -65.79 -46.92 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 25.2 p -127.82 147.17 50.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 515' ' ' GLN . 24.4 mtmm -51.36 -53.86 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 514' ' ' LYS . 77.3 mm-40 -35.1 -64.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -49.11 -49.35 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 521' ' ' PHE . . . -53.02 -39.88 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -67.6 -57.12 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -49.92 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -56.68 -58.26 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.581 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 25.6 t80 -38.26 -58.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -66.04 -38.97 89.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.449 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -53.6 -54.11 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 31.9 mt -79.3 -53.33 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 17.8 t -37.83 -40.72 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -54.08 -54.15 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 93.4 p -159.32 107.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.83 114.78 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -118.76 119.24 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -135.09 126.6 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 84.0 m-85 51.64 38.24 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.22 35.28 82.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -136.49 152.81 50.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -104.68 102.14 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.1 mt -69.66 147.56 50.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 65.8 t -115.34 107.26 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.34 122.66 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -137.9 160.78 38.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.581 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 92.0 m95 -89.03 112.54 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -55.1 134.09 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.66 82.95 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 13.6 t -85.6 115.45 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -75.35 129.66 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.86 149.49 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 42.0 p -121.95 98.16 5.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 11.7 p -166.64 130.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -88.14 159.43 18.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 16.1 m -44.38 168.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 132.44 82.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 109.98 2.44 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.1 t -76.03 138.38 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.1 m -146.89 167.16 24.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 59.8 p -156.78 173.23 17.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 55.3 m -163.88 177.22 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 147.13 119.71 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 453' ' ' GLY . 44.9 p -160.02 -179.94 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 14.2 t -50.61 91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 451' ' ' SER . . . -82.3 -114.18 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -42.49 150.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.46 144.0 30.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 457' ' ' LYS . 54.0 Cg_endo -69.78 -34.52 14.37 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 456' ' ' PRO . 19.1 ttmt -34.82 121.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -119.9 86.86 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -130.84 118.09 20.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 9.7 m -76.6 65.91 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 9.2 t -55.86 158.84 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 85.8 p -123.62 86.16 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -145.84 143.79 29.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.483 HD12 ' CE1' ' A' ' 511' ' ' PHE . 70.1 mt -123.41 110.24 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -99.39 105.0 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 1.053 HG13 HD11 ' A' ' 469' ' ' ILE . 3.5 p -86.9 134.72 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -120.18 164.09 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 505' ' ' GLY . 28.0 t30 67.89 41.28 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 1.053 HD11 HG13 ' A' ' 466' ' ' VAL . 54.1 mt -86.35 132.95 41.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.731 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.77 137.34 35.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -44.92 -25.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.01 -48.73 64.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -47.59 125.21 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -113.21 160.69 18.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -44.74 -34.45 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -49.87 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -48.81 -48.29 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.432 HG13 HD21 ' A' ' 493' ' ' LEU . 11.8 mm -65.63 -52.69 47.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.454 ' HG3' ' CG2' ' A' ' 491' ' ' VAL . 24.5 ttp180 -43.28 -58.11 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.26 -43.29 86.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 tp -45.23 -45.96 12.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.9 m-85 -87.52 -41.9 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 486' ' ' GLY . 14.0 t -44.67 -44.94 9.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 97.2 m -39.71 -36.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 63.7 m-85 -77.25 -41.49 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -176.67 170.68 43.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.07 139.03 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 40.0 mt -107.75 154.23 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.735 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.4 OUTLIER -77.67 -52.31 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.0 t -174.51 140.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 493' ' ' LEU . 21.3 t -104.63 128.44 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -118.14 107.53 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.552 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp -132.84 143.71 49.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.9 68.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -124.45 134.19 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.843 ' HA ' ' HB3' ' A' ' 502' ' ' ALA . 0.2 OUTLIER -51.34 129.2 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 498' ' ' THR . 5.5 mtp -93.07 169.01 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 497' ' ' MET . 49.9 m -34.05 -41.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -68.74 -150.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 17.8 p -130.3 142.09 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 67.2 79.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.843 ' HB3' ' HA ' ' A' ' 496' ' ' LYS . . . -121.0 -55.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -55.89 114.97 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 505' ' ' GLY . 42.8 ttt85 -82.62 165.49 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . 0.456 ' N ' ' CG ' ' A' ' 504' ' ' ARG . . . -81.69 40.99 2.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.89 143.44 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -145.52 149.88 22.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 465' ' ' LEU . 4.5 m-85 -108.57 129.35 55.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 75.9 t -127.59 121.51 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 62.5 t0 -105.95 144.07 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -113.91 163.43 15.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.735 HD13 ' HG2' ' A' ' 489' ' ' LYS . 49.4 mm -70.92 -38.57 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 69.1 p -132.77 -174.99 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -85.21 -44.41 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 515' ' ' GLN . 0.5 OUTLIER -44.94 -67.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 516' ' ' ASP . 0.4 OUTLIER -44.23 -50.72 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.52 -56.97 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -52.93 -65.07 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -40.2 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 523' ' ' ALA . . . -45.73 -58.85 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.411 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 43.2 t80 -40.32 -46.17 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -78.19 -29.72 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.549 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -72.03 -25.8 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 525' ' ' CYS . 97.0 mt -102.22 -57.13 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 36.4 t -37.08 -52.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 527' ' ' SER . 8.2 p-80 -35.97 -50.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 526' ' ' HIS . 3.0 m -173.84 109.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.3 m -124.48 128.88 49.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -123.49 129.58 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -142.69 114.54 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 73.8 m-85 63.24 40.65 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.79 17.01 70.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -124.38 164.47 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -105.9 149.19 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.89 129.68 55.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.414 HG12 ' HG3' ' A' ' 538' ' ' GLU . 83.9 t -88.48 127.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.9 mm? -99.21 116.71 32.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 536' ' ' VAL . 93.9 mt-10 -138.07 164.35 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.411 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 75.4 m95 -102.8 152.89 20.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -119.91 129.79 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.42 139.59 42.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 3.4 t -93.65 140.62 29.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.07 129.16 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 73.1 t -98.37 111.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 25.4 m -122.01 97.98 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 92.4 t -131.87 127.37 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -92.86 -52.07 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 17.3 m -45.08 148.66 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -130.69 82.04 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.7 44.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 m -113.14 -53.34 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 52.7 p -73.43 -50.1 23.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 4.8 m -166.4 120.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 29.2 t -128.94 143.54 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 153.49 84.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 23.7 p -97.15 14.24 26.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 m -97.22 133.13 42.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -158.13 -115.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -58.14 146.58 32.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.669 HG23 ' HD2' ' A' ' 456' ' ' PRO . 4.9 p -115.29 138.77 23.82 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.648 0.737 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 455' ' ' VAL . 53.5 Cg_endo -69.78 139.61 40.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.45 ' HD2' HG11 ' A' ' 544' ' ' VAL . 33.4 mttm -107.23 153.84 22.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -91.68 -1.69 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -60.57 174.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 85.4 m -118.0 128.73 55.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 15.2 t -95.41 160.12 14.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 15.2 p -130.56 86.08 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -139.87 120.31 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 482' ' ' PHE . 65.2 mt -93.14 119.19 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.4 tp -110.32 102.49 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 469' ' ' ILE . 5.9 p -86.58 112.93 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -106.22 166.18 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 6.5 t30 68.08 45.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.602 HD11 HG13 ' A' ' 466' ' ' VAL . 10.3 mt -88.43 136.1 31.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 -166.09 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.66 -51.73 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -49.36 -24.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -66.52 135.89 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -130.67 165.36 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.702 ' HA ' HD22 ' A' ' 493' ' ' LEU . 33.7 tt0 -48.07 -47.31 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -60.23 -40.11 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.42 -47.42 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.26 -47.09 75.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 483' ' ' SER . 30.6 ttt180 -47.79 -49.64 28.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -73.2 -35.71 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.51 -46.51 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 509' ' ' VAL . 77.6 m-85 -89.98 -50.17 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 29.4 t -36.92 -40.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 88.3 m -46.05 -50.09 15.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 35.5 m-85 -60.98 -36.83 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 178.34 176.66 46.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.22 138.22 58.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 71.5 mt -104.25 158.97 16.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.589 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.9 mttt -91.31 -47.23 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -167.57 141.36 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 38.3 t -114.34 108.42 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -98.69 120.53 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.702 HD22 ' HA ' ' A' ' 475' ' ' GLN . 2.5 mp -140.86 144.97 37.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.74 161.47 45.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -112.85 130.65 56.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -90.49 106.09 18.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 499' ' ' GLY . 20.0 mtm -100.67 168.4 9.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 498' ' ' THR . 96.1 m -64.72 74.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 86.87 -172.05 43.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 500' ' ' THR . 22.1 m 51.87 34.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 113.78 132.59 5.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -119.82 -176.28 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.7 t-80 -68.24 107.25 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.19 154.49 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.96 40.94 2.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.1 OUTLIER -141.61 150.3 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -154.87 144.5 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.589 ' CE1' HD13 ' A' ' 465' ' ' LEU . 8.2 m-85 -104.21 128.94 51.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 482' ' ' PHE . 25.7 t -126.87 127.37 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -118.18 147.21 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 13.2 m-85 -114.21 155.52 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.589 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.4 mm -61.56 -44.94 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 22.0 p -125.57 132.66 52.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 515' ' ' GLN . 7.3 mtpm? -39.57 -54.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 514' ' ' LYS . 45.8 mm-40 -34.76 -59.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 40.2 m-20 -51.31 -52.22 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -53.53 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -57.75 -66.15 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -44.2 -68.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -44.99 -64.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.657 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 15.0 t80 -35.78 -51.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.29 -52.0 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.78 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.9 mp -69.11 -57.65 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 524' ' ' LEU . 4.2 t -35.99 -32.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 524' ' ' LEU . 10.6 t-160 -57.86 -49.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 524' ' ' LEU . 3.6 m -170.19 109.4 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.473 HG22 HD12 ' A' ' 535' ' ' LEU . 7.3 m -124.4 111.01 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 1.4 m80 -115.68 125.61 53.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.5 tp -137.45 118.22 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.479 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 60.09 26.71 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.02 38.92 21.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -144.46 116.26 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 1.0 OUTLIER -68.98 103.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 528' ' ' THR . 43.4 mt -70.9 147.93 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.87 138.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.44 114.74 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -128.63 149.41 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.657 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 97.0 m95 -76.47 107.17 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -49.05 138.72 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -106.18 78.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 28.8 t -95.51 164.69 12.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -96.73 129.73 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.45 HG11 ' HD2' ' A' ' 457' ' ' LYS . 72.2 t -83.02 117.34 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 24.9 m -83.98 118.12 23.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.89 116.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.4 140.36 35.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 90.0 p -129.5 169.09 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 162.66 67.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.26 22.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.8 t -142.35 136.45 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 31.3 p -99.32 156.4 17.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 68.9 m -152.98 146.27 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 91.3 p -152.15 177.78 10.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -142.22 -169.55 12.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 74.1 p -165.22 170.73 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 14.1 m -152.21 156.49 39.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.99 167.81 39.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -115.53 156.84 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 455' ' ' VAL . 96.7 t -108.78 80.4 1.24 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.37 40.04 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -109.82 107.42 17.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.72 165.87 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -45.74 120.27 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.57 79.67 3.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 6.4 t -64.53 166.63 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 12.0 p -130.67 86.72 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 0.9 OUTLIER -146.72 113.03 5.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 482' ' ' PHE . 11.7 mt -93.66 107.51 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.2 tp -102.87 104.18 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 469' ' ' ILE . 1.1 p -90.84 129.76 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -114.87 175.74 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 12.8 t30 61.46 40.71 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.604 HG22 ' HB3' ' A' ' 473' ' ' ALA . 43.4 mt -87.1 134.89 35.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.73 146.95 61.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -53.95 -26.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -67.47 -38.62 84.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.604 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -54.49 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -129.02 157.05 42.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.425 ' HA ' HD13 ' A' ' 493' ' ' LEU . 38.6 tt0 -39.23 -40.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -46.17 74.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.87 -51.04 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.53 -48.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.472 ' HA ' HG21 ' A' ' 491' ' ' VAL . 14.4 ttt180 -47.69 -50.03 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -31.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.7 -39.93 78.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 464' ' ' ILE . 52.2 m-85 -96.81 -47.08 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 19.8 m -43.48 -43.49 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 485' ' ' PHE . 15.2 t -43.54 -37.56 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.664 ' CE1' HD11 ' A' ' 524' ' ' LEU . 46.9 m-85 -73.06 -39.45 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.69 -176.33 41.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.23 135.16 48.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 57.7 mt -104.36 156.72 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.7 mtpt -90.58 -48.8 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.8 t -173.03 131.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 479' ' ' ARG . 25.2 t -100.24 127.32 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 492' ' ' ARG . 4.6 mmm180 -118.21 129.57 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.3 mp -139.24 141.03 27.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.484 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 53.9 Cg_endo -69.75 116.14 4.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.352 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -125.0 110.18 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -95.36 108.31 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.5 ttt -78.16 66.02 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 72.8 p -112.27 62.07 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 78.15 -101.36 1.71 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.1 m -59.06 -22.92 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 85.3 110.43 0.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -107.14 129.5 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 504' ' ' ARG . 1.9 t-80 -114.85 125.15 53.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.547 ' O ' ' CE1' ' A' ' 503' ' ' HIS . 4.4 mmm180 -71.34 162.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -91.23 56.35 3.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -161.2 142.4 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -150.03 144.97 12.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.477 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 64.0 m-85 -106.5 132.03 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 89.1 t -127.26 124.72 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.62 140.14 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 9.6 m-85 -112.2 144.46 41.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 489' ' ' LYS . 46.5 mm -48.77 -51.4 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 58.3 p -122.76 168.36 12.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 515' ' ' GLN . 50.8 mttp -68.09 -58.69 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 514' ' ' LYS . 33.0 mt-30 -34.7 -58.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -51.83 -47.18 64.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.0 -60.71 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -52.24 -46.19 65.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -51.65 -58.55 6.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -67.3 -62.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.658 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 4.9 t80 -38.36 -40.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -74.24 -59.3 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.81 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.5 mp -68.21 -56.92 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -38.23 -39.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -50.47 -52.67 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.8 m -170.83 105.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m -123.49 128.56 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.64 138.27 54.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.4 tp -146.26 116.17 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.507 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 87.3 m-85 58.59 32.39 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.57 20.6 76.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -123.85 126.76 46.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -77.03 107.79 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 44.9 mt -75.07 144.92 42.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.22 117.33 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.2 mp -97.69 118.91 35.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -138.17 139.83 39.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.658 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 96.1 m95 -67.12 120.53 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -56.19 136.44 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -89.89 101.12 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 23.0 t -107.96 152.5 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -106.03 138.06 42.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 78.8 t -79.71 97.27 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.7 p -81.46 168.44 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.56 177.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -160.0 129.18 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 12.0 t -121.39 108.93 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 147.89 86.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.01 8.7 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.708 2.272 . . . . 0.0 112.285 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.7 t -100.74 147.22 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.0 p -160.81 164.82 31.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 87.8 p -103.13 135.19 45.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 28.6 p -105.55 -57.11 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 96.22 131.97 6.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.442 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 2.3 t -83.61 47.74 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 1.5 t 65.34 41.9 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 81.61 -82.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -155.95 165.1 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.7 m -48.25 144.57 6.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.82 63.8 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.653 2.236 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -92.34 134.93 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -73.61 -28.12 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -99.2 118.59 36.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 59.0 m -67.74 82.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 9.0 t -65.5 157.35 29.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.3 p -127.59 86.8 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -146.39 125.49 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 93.2 mt -108.08 118.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.649 ' HB2' ' HB2' ' A' ' 540' ' ' ALA . 13.7 tp -109.77 103.31 12.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.764 HG13 HD11 ' A' ' 469' ' ' ILE . 1.7 p -86.34 123.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -111.91 174.62 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 27.6 t30 64.33 32.45 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.764 HD11 HG13 ' A' ' 466' ' ' VAL . 59.3 mt -78.82 132.53 64.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.751 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.71 178.64 4.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -72.03 -53.7 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -46.62 -46.96 20.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -39.13 124.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.22 169.58 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 493' ' ' LEU . 24.8 tt0 -47.23 -44.59 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -61.39 -47.17 87.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -49.56 -55.94 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.37 -40.82 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.57 ' HD2' HG21 ' A' ' 491' ' ' VAL . 2.3 tpt180 -43.61 -66.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 481' ' ' LEU . 32.7 mm-40 -65.48 -44.71 86.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 480' ' ' GLU . 14.7 tp -36.49 -44.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 509' ' ' VAL . 73.8 m-85 -96.54 -49.11 5.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 482' ' ' PHE . 8.1 t -37.79 -40.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 96.9 m -50.52 -47.3 57.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.427 ' CB ' ' HB2' ' A' ' 520' ' ' ALA . 28.2 m-85 -64.26 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 516' ' ' ASP . . . -175.29 177.37 47.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.52 141.06 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 78.0 mt -107.43 158.94 16.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.71 ' CG ' HD13 ' A' ' 512' ' ' ILE . 5.0 mtmp? -98.39 -40.48 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 3.9 t -167.75 134.53 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.57 HG21 ' HD2' ' A' ' 479' ' ' ARG . 12.7 t -111.46 106.34 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -103.43 130.21 50.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' A' ' 475' ' ' GLN . 3.0 mp -141.0 145.32 38.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.76 116.03 4.37 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -116.59 130.22 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -56.9 123.54 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 498' ' ' THR . 6.5 tpt -86.92 102.21 14.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 497' ' ' MET . 48.1 p 34.41 40.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 104.3 -65.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 31.7 m -45.88 108.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 86.03 138.14 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -119.83 156.48 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.8 OUTLIER -61.18 123.04 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.495 ' HB3' ' CD1' ' A' ' 506' ' ' PHE . 31.6 ttm180 -96.52 167.85 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.96 69.8 3.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 504' ' ' ARG . 1.7 p90 -163.93 128.83 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -136.68 145.64 17.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.62 117.33 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.515 HG21 ' CE2' ' A' ' 482' ' ' PHE . 57.0 t -120.12 123.69 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -109.66 140.7 43.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -110.53 157.51 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.71 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.9 mm -66.41 -34.23 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 21.0 p -138.69 165.23 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -71.65 -45.43 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -45.57 -61.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . 0.426 ' CG ' ' HA3' ' A' ' 486' ' ' GLY . 3.2 t70 -56.39 -40.93 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -56.94 -48.12 79.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.48 -60.57 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -39.79 -62.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 485' ' ' PHE . . . -59.73 -45.95 90.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.574 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 67.2 t80 -48.41 -55.82 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.62 -50.48 43.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.46 -56.32 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 525' ' ' CYS . 85.8 mt -73.46 -48.86 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 521' ' ' PHE . 4.8 t -38.0 -48.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 525' ' ' CYS . 21.5 t-80 -35.91 -62.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.9 m -167.68 116.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 2.3 m -126.35 105.47 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.47 117.81 32.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.3 tp -130.36 114.88 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.499 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 60.5 m-85 61.51 32.86 18.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 76.09 37.31 38.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -144.87 137.27 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -92.04 105.51 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 63.9 mt -68.94 161.62 28.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.8 110.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.19 120.2 32.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -141.45 147.47 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.574 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 79.2 m95 -70.01 97.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 465' ' ' LEU . . . -39.93 154.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.62 125.19 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 26.9 t -90.27 133.52 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.37 125.69 28.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.7 137.38 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.0 t -129.7 142.89 50.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.6 m -138.94 164.62 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -138.95 113.02 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.6 m -105.91 99.83 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -72.4 156.5 52.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.71 37.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.4 t -120.15 108.53 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 80.4 p -137.15 142.59 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 10.8 t -173.64 114.51 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 19.7 m -162.12 161.77 28.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.815 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 165.41 103.45 0.17 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 19.9 m -141.8 166.81 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 m -158.34 145.02 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -138.1 176.37 20.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -106.36 128.35 53.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.334 . . . . 0.0 110.926 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.7 m -93.57 146.28 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 115.94 4.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -81.53 112.09 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -71.35 -47.1 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.39 156.61 27.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 12.2 p -85.13 112.25 20.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.9 t -86.2 130.34 34.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 93.6 p -92.07 86.81 5.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -146.62 113.26 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 511' ' ' PHE . 79.5 mt -108.83 120.46 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.2 tp -113.05 114.04 26.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -95.19 130.25 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -120.67 168.0 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 14.2 t30 66.18 41.55 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 466' ' ' VAL . 43.4 mt -86.37 137.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 469' ' ' ILE . 54.1 Cg_endo -69.71 163.53 37.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.22 . . . . 0.0 112.384 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.27 -43.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.09 -33.82 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -74.5 135.94 42.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -131.36 174.75 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.429 ' HA ' HD13 ' A' ' 493' ' ' LEU . 35.5 tt0 -44.22 -48.81 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -46.32 -46.65 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.548 HG13 HD21 ' A' ' 493' ' ' LEU . 50.1 mm -63.88 -54.0 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -43.71 -54.21 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.15 -39.93 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.3 tp -48.19 -52.84 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 488' ' ' LEU . 67.8 m-85 -82.45 -48.12 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 482' ' ' PHE . 40.4 t -37.25 -35.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 60.3 m -56.3 -46.75 79.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.485 ' CE2' ' CB ' ' A' ' 523' ' ' ALA . 54.2 m-85 -67.54 -31.88 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 177.71 166.74 34.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.84 137.6 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 482' ' ' PHE . 48.9 mt -106.31 158.43 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 512' ' ' ILE . 51.3 mttm -88.06 -44.39 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.8 t -174.0 148.83 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 97.5 t -120.54 122.82 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -116.48 111.92 20.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp -130.39 143.61 49.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.512 ' HG3' ' CE2' ' A' ' 506' ' ' PHE . 53.3 Cg_endo -69.8 139.96 41.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -120.92 115.81 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.456 ' HD3' ' C ' ' A' ' 502' ' ' ALA . 19.5 tttp -105.0 144.57 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.453 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 6.4 mmm -69.53 160.27 31.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 43.7 p -68.94 111.33 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 179.18 -150.47 9.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 22.3 m -54.6 102.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . 0.436 ' C ' ' HE2' ' A' ' 496' ' ' LYS . . . 86.4 -175.19 47.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.456 ' C ' ' HD3' ' A' ' 496' ' ' LYS . . . -125.36 -174.94 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.84 170.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -79.52 139.66 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.1 73.43 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -163.73 132.63 3.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.899 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.53 139.89 8.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 465' ' ' LEU . 44.9 m-85 -102.12 133.63 46.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 61.2 t -127.07 138.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.37 142.85 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.57 ' HE2' HD12 ' A' ' 464' ' ' ILE . 13.7 m-85 -113.04 156.33 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.5 mm -68.96 -43.46 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.0 p -120.42 173.78 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -34.03 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -59.42 -46.39 88.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.79 -46.39 78.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.73 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -56.41 -51.69 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -48.47 -54.46 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.546 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 17.8 t80 -57.78 -58.47 8.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.15 -48.31 76.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' ' CE2' ' A' ' 485' ' ' PHE . . . -48.13 -56.78 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 525' ' ' CYS . 92.3 mt -72.36 -56.63 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 524' ' ' LEU . 26.4 t -34.28 -53.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -37.65 -65.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.0 t -152.71 109.35 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.48 120.11 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -117.57 128.95 55.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.8 tp -143.01 112.4 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.0 m-85 63.06 35.64 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.18 30.23 67.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.15 140.22 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -85.98 147.87 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 469' ' ' ILE . 19.9 mt -111.33 132.62 54.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.19 111.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.0 mp -98.36 118.57 35.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -138.56 146.15 41.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.546 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 89.1 m95 -72.28 103.07 3.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.06 147.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -59.61 131.47 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 54.6 m -71.64 118.64 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.06 133.64 45.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 544' ' ' VAL . 14.4 p -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 546' ' ' VAL . 2.5 t -138.31 109.57 6.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 545' ' ' THR . 34.2 m 35.83 39.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -101.75 109.69 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 10.4 t -132.05 -44.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 83.24 83.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.96 55.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.381 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.6 m -97.87 -61.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 80.8 p -67.97 172.63 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.3 t -157.11 126.84 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 30.1 t -123.78 126.45 46.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 123.85 133.82 4.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.561 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 31.0 t -127.69 -52.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.9 m -61.9 101.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -175.97 43.78 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -112.17 94.58 5.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 15.3 m -127.4 144.66 51.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 166.4 27.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -108.28 -53.19 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -70.12 -51.43 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -59.29 149.26 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 22.2 m -140.01 108.3 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.7 t -91.95 148.97 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 99.3 p -111.91 86.29 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -145.92 131.42 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.818 HD12 ' CE1' ' A' ' 511' ' ' PHE . 59.3 mt -110.12 109.12 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -103.61 109.17 20.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.965 HG13 HD11 ' A' ' 469' ' ' ILE . 3.2 p -94.47 136.52 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -121.31 166.34 14.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 50.7 t30 70.39 32.36 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.965 HD11 HG13 ' A' ' 466' ' ' VAL . 62.7 mt -75.65 129.92 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.68 43.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 0.0 112.368 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . 0.416 ' HD1' ' HB1' ' A' ' 502' ' ' ALA . 13.8 t80 -44.98 -32.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.74 -43.18 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.64 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -56.46 130.66 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -129.07 170.7 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.696 ' N ' HD22 ' A' ' 493' ' ' LEU . 25.5 mt-30 -40.09 -51.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 477' ' ' GLU . 34.3 ttt180 -52.27 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 476' ' ' ARG . 1.0 OUTLIER -34.71 -52.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 31.5 mm -61.7 -50.38 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.464 ' HG3' HG21 ' A' ' 491' ' ' VAL . 42.1 ttt180 -48.24 -57.68 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.69 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.2 tp -48.28 -53.95 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 524' ' ' LEU . 81.4 m-85 -86.39 -49.87 7.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 479' ' ' ARG . 45.7 t -38.51 -34.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 56.8 m -52.99 -46.83 68.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -64.43 -40.79 96.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -173.32 177.4 45.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.81 141.8 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.374 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 61.8 mt -106.69 159.26 16.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.992 ' HG2' HD13 ' A' ' 512' ' ' ILE . 25.4 mmtt -93.86 -45.23 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.0 t -169.71 139.58 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 25.0 t -108.27 107.32 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -101.85 125.17 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 475' ' ' GLN . 4.1 mp -135.11 143.14 44.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.9 Cg_endo -69.74 153.57 68.88 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -123.96 138.77 54.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -90.46 162.96 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 499' ' ' GLY . 3.7 mpp? -101.11 119.8 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 35.0 m -41.14 94.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 497' ' ' MET . . . 179.15 -96.2 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 29.2 m -134.02 125.11 27.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 102.52 147.49 19.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.416 ' HB1' ' HD1' ' A' ' 471' ' ' PHE . . . -99.07 175.75 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.576 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.0 OUTLIER -58.09 163.52 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -66.94 143.85 56.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -77.28 63.18 3.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 1.0 OUTLIER -159.47 151.09 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -147.2 147.8 18.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.822 ' CE1' HD13 ' A' ' 465' ' ' LEU . 7.5 m-85 -113.21 123.06 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 67.6 t -123.57 118.57 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -99.21 145.56 27.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.818 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.8 m-85 -115.24 160.01 20.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.992 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.5 mm -70.05 -37.8 73.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 76.2 p -137.71 -176.16 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -85.01 -39.16 18.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -46.43 -65.03 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.45 -44.76 85.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -46.95 -61.42 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -60.01 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -38.15 -55.56 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -69.08 -59.68 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.684 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 7.0 t80 -36.8 -56.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -65.34 -45.72 83.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.56 -42.44 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 482' ' ' PHE . 81.6 mt -83.52 -55.68 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 6.8 t -34.67 -47.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -41.73 -64.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 t -160.72 105.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 1.1 m -122.9 124.02 42.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -120.23 131.34 54.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 9.6 tp -140.67 131.04 25.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 46.11 28.14 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.9 29.4 42.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -137.01 135.88 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -86.98 110.88 20.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 65.2 mt -74.32 148.97 40.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.11 131.32 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.7 mm? -100.96 115.18 29.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -137.68 136.4 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.684 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 82.3 m95 -76.08 122.93 24.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -53.12 126.19 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -78.61 109.49 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 54.7 p -83.72 150.5 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -87.74 130.82 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 546' ' ' VAL . 7.3 p -109.05 138.61 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 41.0 p -129.42 45.45 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 544' ' ' VAL . 84.2 t -94.27 122.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -92.11 141.89 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 95.8 p -93.83 163.94 13.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -165.14 153.68 23.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 1.15 4.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.395 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 149.04 46.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.3 p -168.66 154.94 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 33.5 m -141.71 119.57 11.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 47.0 t -133.17 127.77 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 68.23 131.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 452' ' ' SER . 32.8 m -83.4 39.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 451' ' ' SER . 97.8 p 37.78 51.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -123.57 71.77 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -105.22 28.47 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.92 140.53 37.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 158.57 56.45 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -66.91 156.2 36.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -117.5 -40.96 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -79.34 148.81 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 9.1 m -97.8 89.19 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . 0.419 HG21 ' HB2' ' A' ' 542' ' ' SER . 3.1 t -89.64 163.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 17.2 p -128.58 85.95 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.436 ' HE3' ' CB ' ' A' ' 540' ' ' ALA . 20.2 ttpt -143.24 112.21 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 511' ' ' PHE . 40.8 mt -89.34 117.89 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 507' ' ' GLY . 12.3 tp -112.2 100.98 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 469' ' ' ILE . 6.3 p -83.92 124.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -116.29 171.42 7.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.03 35.27 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 466' ' ' VAL . 75.5 mt -75.28 138.06 71.74 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.75 165.9 29.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -68.91 -37.04 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.91 -42.02 95.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.6 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -55.23 135.45 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.02 176.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -55.07 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -50.41 -44.44 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.93 -58.98 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 493' ' ' LEU . 33.9 mm -53.62 -43.83 55.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.458 ' O ' ' CD1' ' A' ' 488' ' ' LEU . 23.7 ttp180 -52.28 -65.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.49 -30.96 70.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 30.4 tp -53.31 -48.96 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 524' ' ' LEU . 45.6 m-85 -85.27 -34.05 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.48 ' N ' HD11 ' A' ' 488' ' ' LEU . 4.0 p -51.05 -37.51 45.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 87.4 m -51.94 -23.62 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 524' ' ' LEU . 83.3 m-85 -89.78 -42.37 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -171.17 -177.41 40.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.38 133.1 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 482' ' ' PHE . 49.5 mt -104.62 146.47 28.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.666 ' HG3' HD13 ' A' ' 512' ' ' ILE . 55.3 mttt -82.15 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 15.2 t -157.16 145.31 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 23.0 t -114.25 135.69 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -122.8 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 478' ' ' ILE . 2.6 mp -140.96 149.2 55.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.478 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.8 Cg_endo -69.78 139.69 40.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.32 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -97.05 135.57 38.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.719 ' HA ' ' HB1' ' A' ' 502' ' ' ALA . 17.7 mmmt -49.66 106.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 13.0 mtm -108.54 144.38 36.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 13.1 t -49.45 163.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 75.76 165.46 17.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 51.3 p -57.62 124.03 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 111.174 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 92.82 74.71 1.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.719 ' HB1' ' HA ' ' A' ' 496' ' ' LYS . . . -88.42 -74.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.5 t-80 -104.81 105.96 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.67 171.05 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -101.85 63.85 0.49 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 0.2 OUTLIER -159.99 124.0 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -137.73 149.61 20.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.442 ' CE1' HD13 ' A' ' 465' ' ' LEU . 56.7 m-85 -105.55 132.37 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.43 ' CG1' HD22 ' A' ' 488' ' ' LEU . 50.6 t -127.36 112.53 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -96.09 142.01 28.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.724 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 13.9 m-85 -111.69 151.95 28.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.666 HD13 ' HG3' ' A' ' 489' ' ' LYS . 45.0 mm -62.04 -38.75 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 54.4 p -127.93 137.42 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -45.47 -42.82 10.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 518' ' ' LYS . 15.4 mm100 -53.21 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.29 -44.44 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -65.05 -37.01 86.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 515' ' ' GLN . 28.3 mttm -69.82 -61.41 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 7.1 ptmt -49.79 -39.25 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -69.99 -57.91 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 539' ' ' TRP . 9.9 t80 -37.88 -53.09 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.2 OUTLIER -65.87 -46.46 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.427 ' N ' ' ND2' ' A' ' 522' ' ' ASN . . . -49.93 -51.73 38.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 485' ' ' PHE . 7.4 mp -76.67 -55.21 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 35.4 t -40.38 -48.24 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -38.2 -57.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.3 p -173.62 105.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 30.5 m -122.07 122.37 39.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.465 ' CE1' ' HE ' ' A' ' 534' ' ' ARG . 1.5 m80 -111.04 118.9 37.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.4 tp -129.94 114.61 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.502 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.9 m-85 57.33 39.91 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 68.14 36.11 84.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -143.67 146.39 33.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.465 ' HE ' ' CE1' ' A' ' 529' ' ' HIS . 13.3 tpp85 -98.3 121.01 39.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 466' ' ' VAL . 71.3 mt -85.85 143.65 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.4 t -97.85 127.88 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 2.1 mm? -99.91 116.06 31.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -129.52 157.98 40.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.493 ' CD1' ' CE2' ' A' ' 521' ' ' PHE . 94.8 m95 -100.57 98.25 8.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . 0.436 ' CB ' ' HE3' ' A' ' 463' ' ' LYS . . . -35.34 145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.03 109.99 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 461' ' ' THR . 8.7 t -73.44 117.95 15.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.04 132.48 23.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 1.6 t -114.84 126.85 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 25.8 p -93.6 119.78 33.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 3.3 p -167.43 145.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -147.92 132.65 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 6.4 t -64.72 169.04 5.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.29 88.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 137.12 34.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 75.1 m -78.29 178.53 7.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 16.8 t -128.21 179.59 5.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 86.6 p -169.44 143.67 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 23.0 t -146.88 122.29 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -167.78 106.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 8.6 t -172.64 156.94 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 55.6 p -147.15 172.43 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 172.94 68.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -155.99 140.96 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 98.2 t -128.76 81.96 69.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.737 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -32.37 18.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -64.0 147.22 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.97 -59.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -135.65 169.64 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 21.0 m -125.13 130.45 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.1 t -111.24 150.98 28.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 14.0 p -104.72 86.08 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 21.4 mtmm -146.68 120.69 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 482' ' ' PHE . 78.0 mt -104.44 109.05 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.13 98.47 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.759 HG13 HD11 ' A' ' 469' ' ' ILE . 4.9 p -83.94 110.03 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . 0.867 HH12 HG11 ' A' ' 536' ' ' VAL . 5.4 ttp-105 -101.31 164.82 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 15.0 t30 71.31 43.0 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.759 HD11 HG13 ' A' ' 466' ' ' VAL . 81.9 mt -83.75 134.03 45.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 54.1 Cg_endo -69.73 160.53 49.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -54.36 -51.11 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -54.45 -49.56 69.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -50.19 107.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -115.71 -178.31 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD13 ' A' ' 493' ' ' LEU . 12.9 tp60 -40.01 -66.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 477' ' ' GLU . 7.2 ttm105 -44.72 -61.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 476' ' ' ARG . 23.5 mm-40 -34.43 -54.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.574 HG13 HD21 ' A' ' 493' ' ' LEU . 4.1 mm -63.7 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.493 ' O ' HD11 ' A' ' 488' ' ' LEU . 17.2 ttp180 -36.53 -64.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 481' ' ' LEU . 9.3 pt-20 -63.83 -49.25 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 480' ' ' GLU . 16.4 tp -35.35 -43.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 509' ' ' VAL . 46.7 m-85 -94.58 -42.58 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.0 t -40.7 -42.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 62.3 m -40.37 -47.73 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 520' ' ' ALA . 49.4 m-85 -65.57 -42.88 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -177.78 175.56 47.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -60.46 143.01 54.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 479' ' ' ARG . 36.6 mt -107.63 153.77 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.767 ' HG2' HD13 ' A' ' 512' ' ' ILE . 0.1 OUTLIER -81.73 -53.15 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 11.4 t -168.9 135.54 1.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.412 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 71.8 t -100.81 135.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -128.37 123.04 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.574 HD21 HG13 ' A' ' 478' ' ' ILE . 4.2 mp -135.77 143.68 45.63 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.43 28.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -124.19 116.88 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.453 ' CE ' ' HA3' ' A' ' 499' ' ' GLY . 17.9 ttpt -91.87 157.97 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -123.57 -33.29 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 1.7 t -80.58 6.34 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.453 ' HA3' ' CE ' ' A' ' 496' ' ' LYS . . . -127.79 147.1 17.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 500' ' ' THR . 1.7 t -75.71 60.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 82.73 47.65 5.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -121.78 94.72 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.59 165.02 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -80.37 134.59 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -67.92 71.23 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 506' ' ' PHE . 2.0 p90 -164.69 123.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.65 146.58 17.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -104.63 128.03 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.582 HG21 ' CE2' ' A' ' 482' ' ' PHE . 79.0 t -118.34 132.15 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.31 142.01 47.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -114.51 164.67 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.767 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.4 mm -77.43 -36.09 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 62.9 p -133.72 146.21 50.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 517' ' ' ALA . 24.6 mtpp -51.31 -52.15 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 514' ' ' LYS . 39.7 mt-30 -35.91 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -44.06 -38.37 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 514' ' ' LYS . . . -66.77 -40.66 88.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.2 -50.26 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 14.0 ptpt -67.23 -36.62 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -61.91 -55.99 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 525' ' ' CYS . 9.4 t80 -61.34 -52.74 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -54.65 -28.72 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 485' ' ' PHE . . . -81.57 -56.91 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.526 HD11 ' CE1' ' A' ' 485' ' ' PHE . 6.9 mp -64.23 -56.06 17.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 521' ' ' PHE . 4.4 p -46.33 -27.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.74 -45.41 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.1 t -174.27 108.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 96.2 m -125.22 125.43 43.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -119.67 119.49 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 16.3 tp -135.25 114.54 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.519 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 65.1 m-85 55.89 48.48 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 59.95 36.73 91.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -140.18 154.69 47.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -106.88 100.77 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.34 149.35 42.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.867 HG11 HH12 ' A' ' 467' ' ' ARG . 24.4 t -102.97 121.84 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 3.4 mm? -97.74 123.64 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -149.88 131.06 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -73.13 108.43 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -43.2 158.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -106.31 130.96 54.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 36.6 p -61.73 120.28 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -104.66 154.43 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 11.7 m -62.56 136.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 76.4 m -124.27 121.97 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.69 176.05 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -163.69 116.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 51.7 p -89.69 117.13 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -66.34 145.83 47.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.9 67.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.6 m -95.87 142.0 28.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 t -96.48 137.5 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 t 48.6 41.9 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 2.3 m -154.61 145.1 22.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 80.23 -66.81 3.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 68.2 m 59.17 38.23 23.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 95.8 p -121.31 90.59 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -81.27 -169.87 42.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -75.32 106.43 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.29 143.44 39.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 170.99 15.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 17.09 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -46.38 -46.57 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -146.36 165.48 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 20.3 p -95.3 120.02 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 6.5 t -96.13 153.68 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 5.0 m -119.68 91.08 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -141.99 110.69 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.644 HD12 ' CE1' ' A' ' 511' ' ' PHE . 55.3 mt -104.93 114.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.723 HD13 ' CE1' ' A' ' 508' ' ' PHE . 17.1 tp -108.3 106.31 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.725 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -91.36 120.54 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -111.54 173.02 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 19.9 t30 58.8 45.31 15.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.725 HD11 HG13 ' A' ' 466' ' ' VAL . 73.3 mt -86.97 135.39 35.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.4 Cg_endo -69.76 148.13 64.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.52 -38.25 66.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.78 -49.81 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.432 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -54.11 123.33 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -114.51 176.95 4.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.535 ' HA ' HD22 ' A' ' 493' ' ' LEU . 4.8 tt0 -48.0 -52.13 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -52.19 -55.94 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -44.1 -51.4 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.29 -51.88 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.408 ' HG3' HG21 ' A' ' 491' ' ' VAL . 34.4 ttp85 -47.25 -49.08 24.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 481' ' ' LEU . 5.4 pt-20 -74.09 -33.33 63.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 480' ' ' GLU . 12.4 tp -59.0 -35.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 488' ' ' LEU . 68.4 m-85 -97.94 -41.52 7.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 486' ' ' GLY . 47.7 t -46.82 -48.96 20.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 9.9 t -39.18 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 524' ' ' LEU . 57.3 m-85 -85.94 -40.5 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -177.24 177.27 48.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.68 134.81 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 482' ' ' PHE . 80.4 mt -104.91 137.83 42.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 512' ' ' ILE . 32.4 mttt -67.93 -49.53 61.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 13.0 t -172.41 136.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.441 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.9 t -99.89 134.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -124.32 125.63 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.535 HD22 ' HA ' ' A' ' 475' ' ' GLN . 4.1 mp -140.53 144.42 36.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 506' ' ' PHE . 54.2 Cg_endo -69.77 117.75 5.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.339 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.91 108.35 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.656 ' HG2' ' HB3' ' A' ' 502' ' ' ALA . 3.5 tppp? -89.01 132.6 34.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.507 ' O ' ' C ' ' A' ' 498' ' ' THR . 0.0 OUTLIER -102.57 -178.28 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 498' ' ' THR . 2.5 t 29.17 40.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 497' ' ' MET . . . -136.74 -163.72 9.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 500' ' ' THR . 9.0 t -123.98 60.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 67.44 69.46 1.36 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.656 ' HB3' ' HG2' ' A' ' 496' ' ' LYS . . . -106.31 44.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.64 109.16 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 149.32 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -76.07 67.59 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 494' ' ' PRO . 2.1 p90 -157.53 140.65 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.416 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -156.32 150.34 21.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.723 ' CE1' HD13 ' A' ' 465' ' ' LEU . 17.2 m-85 -114.02 139.19 49.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 482' ' ' PHE . 22.5 t -132.88 124.51 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -110.91 141.07 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' A' ' 464' ' ' ILE . 21.3 m-85 -111.56 162.47 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.607 HD13 ' HG2' ' A' ' 489' ' ' LYS . 34.0 mm -73.44 -43.92 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 18.2 p -113.07 -179.38 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -43.44 11.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -52.4 -62.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -48.1 -37.3 14.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.79 75.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -76.65 -57.03 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.594 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 1.9 ptpp? -54.25 -37.12 64.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -73.69 -55.37 6.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.479 ' CZ ' ' CD1' ' A' ' 539' ' ' TRP . 22.3 t80 -44.63 -54.29 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 523' ' ' ALA . 0.6 OUTLIER -70.24 -44.34 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 519' ' ' LYS . . . -46.13 -54.14 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 485' ' ' PHE . 8.0 mp -77.05 -54.39 6.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 524' ' ' LEU . 37.6 t -34.57 -53.2 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 525' ' ' CYS . 58.2 t60 -37.49 -65.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 88.5 p -155.06 107.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 24.0 m -125.68 106.43 9.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -106.96 120.72 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.1 tp -133.99 122.13 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.445 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 75.2 m-85 54.53 33.77 19.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.46 36.33 49.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -140.99 145.19 35.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.67 99.2 10.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.18 144.94 55.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.77 125.51 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.05 127.12 51.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.15 146.3 40.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.479 ' CD1' ' CZ ' ' A' ' 521' ' ' PHE . 96.4 m95 -78.26 100.58 6.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.84 143.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.76 131.37 39.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 43.7 p -109.36 156.91 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -53.18 140.5 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.49 135.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.546 HG23 ' H ' ' A' ' 547' ' ' GLN . 8.8 t -119.79 -27.85 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 546' ' ' VAL . 15.0 p 35.39 43.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . 0.546 ' H ' HG23 ' A' ' 545' ' ' THR . 20.1 tm0? -67.46 137.96 56.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 38.1 t -170.08 157.48 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -145.3 81.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.73 29.27 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.1 m 38.47 43.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 19.5 m -150.87 105.68 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.1 t -98.96 135.85 39.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.829 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 10.6 m -83.88 -50.62 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -161.6 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 54.3 p -125.68 139.54 53.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 98.3 p -120.13 94.4 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -130.27 96.74 0.37 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -95.36 124.5 39.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 49.1 t -107.45 81.73 1.13 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.683 0.754 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 92.23 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.58 109.36 20.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -69.2 -49.13 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.24 73.65 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 30.2 m -57.94 141.87 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.1 t -129.98 148.73 51.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 73.9 p -125.76 86.14 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.55 ' HD3' ' CD1' ' A' ' 508' ' ' PHE . 16.1 ttmm -139.14 117.02 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 482' ' ' PHE . 96.7 mt -94.13 110.94 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 11.9 tp -103.16 101.83 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.998 HG13 HD11 ' A' ' 469' ' ' ILE . 7.3 p -87.87 126.49 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -115.5 166.15 12.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 13.7 t30 69.63 34.18 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.998 HD11 HG13 ' A' ' 466' ' ' VAL . 75.3 mt -75.66 134.47 72.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.9 Cg_endo -69.78 139.95 41.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 471' ' ' PHE . 6.9 t80 -48.4 -42.21 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -55.64 -38.4 69.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -66.03 141.61 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -132.42 -179.44 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 493' ' ' LEU . 34.0 tt0 -47.27 -54.38 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -53.58 -54.34 38.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -41.86 -56.32 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 49.1 mm -61.85 -47.88 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.577 ' HG3' HG21 ' A' ' 491' ' ' VAL . 24.2 mtp180 -42.47 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.88 -35.81 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.65 -43.62 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 464' ' ' ILE . 80.4 m-85 -95.69 -52.18 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 482' ' ' PHE . 3.0 p -36.48 -31.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 482' ' ' PHE . 77.8 m -54.64 -48.49 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.5 ' CE1' HD21 ' A' ' 524' ' ' LEU . 42.0 m-85 -64.7 -43.65 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -166.4 174.27 41.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.78 140.47 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 80.3 mt -107.2 163.34 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.688 ' HG2' HD13 ' A' ' 512' ' ' ILE . 15.5 mttm -97.22 -50.62 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 10.8 t -173.87 131.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.577 HG21 ' HG3' ' A' ' 479' ' ' ARG . 56.3 t -102.73 127.55 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -115.71 124.65 51.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 475' ' ' GLN . 2.6 mp -140.39 143.88 34.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.728 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 132.74 23.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 0.0 112.361 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -99.14 131.39 45.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -66.77 141.26 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 63.9 mmm -120.64 156.09 32.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 70.5 p -66.53 -41.36 88.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -87.93 -96.68 0.94 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 75.8 p -110.68 151.19 28.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 95.5 96.85 1.74 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -113.49 158.38 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.13 109.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -77.67 164.42 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -83.65 61.23 4.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -162.8 138.18 6.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.02 145.92 17.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.55 ' CD1' ' HD3' ' A' ' 463' ' ' LYS . 25.6 m-85 -106.08 125.73 51.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.4 t -123.48 130.79 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -114.68 144.94 42.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.422 ' CE1' HD12 ' A' ' 464' ' ' ILE . 8.2 m-85 -113.99 160.52 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.688 HD13 ' HG2' ' A' ' 489' ' ' LYS . 48.4 mm -70.6 -45.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 68.5 p -125.73 137.62 53.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -44.7 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -52.49 -59.34 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -48.49 -40.94 28.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.78 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -49.88 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -51.08 -58.65 5.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -54.79 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 521' ' ' PHE . 5.5 t80 -40.49 -40.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -58.7 -46.97 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 485' ' ' PHE . 4.4 mm? -54.58 -59.15 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 526' ' ' HIS . 45.9 t -41.72 -53.14 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 525' ' ' CYS . 6.7 t60 -36.62 -57.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 59.9 p -169.83 114.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 535' ' ' LEU . 22.6 m -125.43 105.76 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -99.56 118.48 36.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 14.2 tp -130.69 121.86 26.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.528 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.2 m-85 52.03 49.98 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 58.33 35.87 80.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -141.01 155.02 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -102.58 120.27 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 528' ' ' THR . 87.8 mt -86.52 154.49 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.24 129.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.08 125.88 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.68 133.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -67.29 115.77 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -52.81 145.18 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.75 127.71 35.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 46.6 t -106.39 138.42 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.64 127.36 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 6.1 m -63.56 138.85 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 74.6 p -104.69 168.79 8.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.98 158.53 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -130.44 101.32 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 93.6 p -148.33 142.45 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 141.26 74.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.44 12.66 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.662 2.242 . . . . 0.0 112.346 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 53.2 p -146.21 141.03 27.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -48.01 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.546 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 46.9 t -136.23 137.02 40.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 13.2 t -63.98 -57.48 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 146.74 151.46 5.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 47.6 m -160.69 131.18 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.6 m -127.13 148.95 50.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -99.76 164.11 19.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -150.3 117.22 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.86 141.63 24.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -11.6 31.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.266 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.451 ' NZ ' HG23 ' A' ' 544' ' ' VAL . 0.1 OUTLIER -121.33 142.06 50.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -97.38 36.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -142.99 127.69 18.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 6.8 m -78.76 98.68 6.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.8 t -112.54 151.26 30.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 514' ' ' LYS . 19.8 p -107.42 86.1 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' ' 540' ' ' ALA . 8.1 tppt? -145.43 138.9 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.668 HG21 ' CE1' ' A' ' 482' ' ' PHE . 63.7 mt -119.97 115.54 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.697 HD13 ' CE1' ' A' ' 508' ' ' PHE . 10.8 tp -110.39 107.91 17.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.882 HG13 HD11 ' A' ' 469' ' ' ILE . 2.2 p -93.55 119.53 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 35.7 mtt-85 -106.29 167.5 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 10.8 t30 68.23 39.83 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.882 HD11 HG13 ' A' ' 466' ' ' VAL . 96.9 mt -83.85 130.72 54.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 471' ' ' PHE . 53.7 Cg_endo -69.79 132.34 23.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 470' ' ' PRO . 10.8 t80 -37.59 -46.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -49.9 -47.68 52.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -48.79 138.93 10.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -129.84 163.77 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -47.31 -35.52 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -65.92 -53.17 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -48.88 -49.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 13.6 mm -64.38 -47.42 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.451 ' HA ' HG21 ' A' ' 491' ' ' VAL . 8.7 ttp85 -44.12 -60.85 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.65 -31.01 71.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.43 -39.11 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 464' ' ' ILE . 40.5 m-85 -94.93 -52.43 4.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 486' ' ' GLY . 7.4 p -43.95 -46.63 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 483' ' ' SER . 9.0 t -38.03 -34.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' A' ' 523' ' ' ALA . 32.3 m-85 -78.14 -43.09 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 483' ' ' SER . . . -165.49 -169.48 29.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.467 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.05 134.86 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 511' ' ' PHE . 34.3 mt -107.23 145.9 32.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.631 ' CG ' HD13 ' A' ' 512' ' ' ILE . 33.2 mttt -80.25 -50.15 10.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 5.2 t -173.78 132.74 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.453 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 54.5 t -99.05 126.93 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -115.41 112.24 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.453 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 2.3 mp -139.27 141.21 28.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 151.86 68.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 140.33 52.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.89 ' HA ' ' HB3' ' A' ' 502' ' ' ALA . 13.6 tmtt? -69.2 108.41 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -124.04 -50.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 33.8 p -50.32 173.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -42.79 -69.86 0.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 56.8 m -146.09 135.17 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 73.31 88.27 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.89 ' HB3' ' HA ' ' A' ' 496' ' ' LYS . . . -122.7 -64.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.431 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 0.7 OUTLIER -55.3 114.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -88.7 158.54 18.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.37 60.84 2.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 506' ' ' PHE . 1.7 p90 -158.23 127.84 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -139.79 144.47 15.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.697 ' CE1' HD13 ' A' ' 465' ' ' LEU . 29.9 m-85 -107.75 131.15 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 98.5 t -124.31 132.43 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -111.95 134.73 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.8 ' HB2' ' HB2' ' A' ' 517' ' ' ALA . 9.0 m-85 -107.88 163.08 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.631 HD13 ' CG ' ' A' ' 489' ' ' LYS . 27.6 mm -65.69 -43.54 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . 0.428 HG23 ' OD2' ' A' ' 516' ' ' ASP . 0.0 OUTLIER -142.05 157.1 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 462' ' ' SER . 25.4 mttm -57.92 -36.46 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -52.17 -48.3 65.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 513' ' ' THR . 54.6 m-20 -69.56 -57.55 5.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.8 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -51.6 -27.19 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -74.62 -59.96 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 16.9 ptmt -55.89 -43.5 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 519' ' ' LYS . . . -61.17 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 537' ' ' LEU . 8.9 t80 -59.47 -38.18 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -70.78 -27.95 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 485' ' ' PHE . . . -87.8 -20.56 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 482' ' ' PHE . 28.7 mt -98.22 -58.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 14.2 p -40.72 -27.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 524' ' ' LEU . 2.3 t-160 -50.35 -61.17 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.7 t -170.48 109.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.7 123.44 47.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.44 122.22 46.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.0 tp -141.11 122.65 15.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.414 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 77.2 m-85 51.27 41.14 27.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 64.7 36.43 93.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -138.02 140.09 39.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -95.03 100.4 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.05 147.06 53.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.4 t -115.45 113.51 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 7.0 mp -90.97 133.13 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -144.84 136.96 26.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -69.38 109.64 4.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . 0.573 ' HB3' ' HG2' ' A' ' 463' ' ' LYS . . . -47.21 124.05 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.43 91.59 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 3.2 m -71.6 120.1 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -64.05 138.87 58.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.451 HG23 ' NZ ' ' A' ' 457' ' ' LYS . 90.2 t -71.62 121.82 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 32.1 p -125.22 123.61 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.71 141.97 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -146.43 142.17 27.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 39.3 t -127.99 122.63 32.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.5 142.23 16.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 155.56 65.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.378 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 27.0 m -118.93 132.6 56.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 57.9 p -116.76 42.73 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 28.6 t -153.44 106.33 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 14.4 m -110.62 152.74 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -174.94 160.3 29.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 49.5 p -162.75 124.55 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.859 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 22.6 t -119.31 101.67 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -128.05 39.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 455' ' ' VAL . 39.6 tt0 -44.28 157.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.433 ' N ' ' HG2' ' A' ' 454' ' ' GLN . 34.0 m -148.97 144.74 18.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.36 8.18 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.656 2.238 . . . . 0.0 112.359 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.44 45.43 2.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -171.71 165.7 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -72.97 149.43 43.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 26.7 m -71.19 112.9 7.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 14.9 t -41.47 130.61 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 42.7 p -97.55 86.08 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.679 ' HB3' ' HB3' ' A' ' 540' ' ' ALA . 21.9 mmtm -146.73 132.14 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 18.9 mt -120.94 107.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 506' ' ' PHE . 10.5 tp -97.26 109.25 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.769 HG13 HD11 ' A' ' 469' ' ' ILE . 4.5 p -94.32 135.99 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 467' ' ' ARG . 10.6 mtp-105 -125.66 177.66 6.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 9.8 t30 56.97 40.29 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.769 HD11 HG13 ' A' ' 466' ' ' VAL . 37.6 mt -82.79 134.95 46.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.5 Cg_endo -69.79 139.12 39.35 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -48.09 -38.59 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -58.4 -42.19 86.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.405 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -64.91 126.8 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -116.74 172.64 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.459 ' HA ' HD22 ' A' ' 493' ' ' LEU . 21.8 tt0 -40.0 -45.47 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -64.46 -44.71 90.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -49.37 -51.58 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.436 HG13 HD21 ' A' ' 493' ' ' LEU . 20.2 mm -65.41 -42.74 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.586 ' HG3' HG21 ' A' ' 491' ' ' VAL . 55.9 mtt180 -46.26 -67.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.91 -36.76 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 19.8 tp -47.42 -55.92 7.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.964 ' CE2' HD12 ' A' ' 524' ' ' LEU . 61.4 m-85 -83.69 -47.6 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 25.2 t -42.34 -25.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.802 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 482' ' ' PHE . 20.8 m -54.31 -42.82 70.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.442 ' HE1' HD21 ' A' ' 524' ' ' LEU . 95.1 m-85 -70.9 -42.32 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -167.68 168.92 40.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.17 138.0 58.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 511' ' ' PHE . 94.1 mt -103.42 154.98 18.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.532 ' HG2' HD13 ' A' ' 512' ' ' ILE . 35.0 mttt -86.03 -47.18 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 12.5 t -172.88 133.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.586 HG21 ' HG3' ' A' ' 479' ' ' ARG . 83.3 t -103.07 117.04 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -106.56 118.44 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.555 ' CD1' HG12 ' A' ' 491' ' ' VAL . 2.5 mp -135.73 142.4 40.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 122.33 9.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 131.94 53.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -89.3 134.51 34.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.438 ' HG3' HG23 ' A' ' 498' ' ' THR . 6.6 tpt -68.1 -49.28 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . 0.438 HG23 ' HG3' ' A' ' 497' ' ' MET . 22.1 p -132.93 158.41 42.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 100.02 168.77 29.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 24.3 m -119.55 140.64 50.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 60.63 67.33 2.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -120.14 -41.08 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -56.04 132.76 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -100.75 169.38 9.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -78.61 76.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -162.36 140.36 8.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -167.66 156.29 27.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -107.17 140.64 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.45 129.93 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.11 146.45 43.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.6 m-85 -119.3 141.24 49.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.532 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.8 mm -49.41 -40.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 40.4 p -127.32 150.48 49.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -61.46 -47.94 83.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -43.35 -42.51 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . 0.499 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 38.8 m-20 -68.45 -46.92 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.13 -53.68 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -63.11 -44.8 94.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -54.87 -58.0 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.08 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 46.1 t80 -45.7 -64.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -58.9 -43.74 91.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.83 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.964 HD12 ' CE2' ' A' ' 482' ' ' PHE . 62.0 mt -71.99 -53.19 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 537' ' ' LEU . 1.2 t -34.33 -53.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 525' ' ' CYS . 43.2 t-80 -35.72 -59.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 92.6 p -171.6 108.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 9.9 m -122.96 111.12 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.405 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.3 m-70 -109.71 118.37 36.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 15.1 tp -128.62 130.43 47.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.532 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.8 m-85 50.46 27.22 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.41 30.15 41.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -135.41 133.28 38.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.405 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 2.4 tmt_? -84.84 99.14 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.3 158.66 16.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.8 131.17 70.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 525' ' ' CYS . 3.4 mm? -100.84 113.69 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.65 139.14 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.664 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 95.6 m95 -75.65 106.15 7.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . 0.679 ' HB3' ' HB3' ' A' ' 463' ' ' LYS . . . -40.5 125.16 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.86 133.91 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 69.6 m -109.89 114.44 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.65 130.26 39.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 87.0 t -89.01 100.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 1.7 m -61.99 -63.21 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 20.1 t -133.83 122.1 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -84.32 144.72 28.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 94.1 p -135.65 134.14 38.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -150.61 -79.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.48 2.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 25.6 t -108.71 129.55 55.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 11.1 m -78.55 132.72 37.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 2.9 m -99.12 116.35 31.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 2.9 t -75.19 143.3 43.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 40.62 61.27 1.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 2.4 m -74.94 -57.71 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.5 m -50.31 129.08 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -56.52 -109.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -146.1 114.47 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 455' ' ' VAL . 4.5 p -162.31 128.88 2.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 457' ' ' LYS . 53.7 Cg_endo -69.78 -0.06 6.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 456' ' ' PRO . 29.6 pttt -34.4 125.39 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -139.26 111.62 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -84.23 107.85 16.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 10.8 m -74.24 117.68 16.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 2.3 t -112.33 145.0 40.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 2.0 m -112.99 86.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . 0.671 ' HG2' ' HB3' ' A' ' 540' ' ' ALA . 5.0 tppt? -132.14 116.21 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 482' ' ' PHE . 91.5 mt -89.44 107.54 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.65 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.2 tp -102.76 104.12 14.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.605 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.5 149.01 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -138.85 173.05 11.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.39 35.97 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 470' ' ' PRO . 44.4 mt -81.13 138.0 49.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.675 ' HG2' ' HB2' ' A' ' 473' ' ' ALA . 53.4 Cg_endo -69.78 176.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.22 -57.37 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -48.33 -35.75 12.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.675 ' HB2' ' HG2' ' A' ' 470' ' ' PRO . . . -52.62 116.35 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -116.01 171.7 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 475' ' ' GLN . 0.1 OUTLIER -53.44 -37.56 62.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -63.56 -42.57 98.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -60.76 -44.22 97.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.562 HG13 HD21 ' A' ' 493' ' ' LEU . 10.4 mm -71.1 -54.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.537 ' O ' HD11 ' A' ' 488' ' ' LEU . 44.7 ttt180 -41.85 -53.53 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.26 -42.45 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 tp -45.57 -40.37 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 464' ' ' ILE . 72.2 m-85 -94.43 -46.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 482' ' ' PHE . 23.0 t -37.24 -39.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 18.0 m -48.26 -50.37 29.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.402 ' CE1' HD21 ' A' ' 524' ' ' LEU . 39.7 m-85 -64.1 -42.1 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -172.91 168.75 41.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.16 140.77 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 479' ' ' ARG . 39.5 mt -103.77 152.36 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.863 ' HG2' HD13 ' A' ' 512' ' ' ILE . 27.3 mmtt -87.33 -38.78 15.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.9 t -174.03 147.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.449 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 41.3 t -118.54 111.88 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -104.22 119.99 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.562 HD21 HG13 ' A' ' 478' ' ' ILE . 2.5 mp -140.96 143.96 33.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.16 5.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -97.61 132.89 42.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 497' ' ' MET . 0.0 OUTLIER -59.16 113.37 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.429 ' N ' ' HD2' ' A' ' 496' ' ' LYS . 6.1 ptm -114.42 -41.43 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 1.5 t -161.99 136.0 6.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 94.77 121.0 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 82.8 p -47.37 132.8 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 59.71 58.62 13.3 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.72 -43.48 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.75 114.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -77.25 146.68 36.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.07 62.95 2.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -160.43 170.9 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -174.5 145.57 8.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.7 m-85 -105.18 117.7 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 482' ' ' PHE . 40.0 t -113.62 130.85 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 148.41 38.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 516' ' ' ASP . 12.6 m-85 -118.09 145.4 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.863 HD13 ' HG2' ' A' ' 489' ' ' LYS . 40.8 mm -56.34 -42.7 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 36.1 p -119.4 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -47.81 -50.03 27.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -43.45 -61.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . 0.503 ' HB3' ' CD2' ' A' ' 511' ' ' PHE . 86.8 m-20 -41.87 -56.64 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.4 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.62 -64.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -44.7 -63.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 521' ' ' PHE . . . -49.81 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.611 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 85.2 t80 -34.85 -42.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.65 -61.19 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.75 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.489 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.0 mm? -50.46 -53.99 25.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.47 -35.02 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -43.79 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.8 p -170.84 105.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.0 m -123.41 98.22 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.87 121.11 35.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 13.3 tp -130.52 116.54 18.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.465 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 80.3 m-85 62.33 32.01 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.05 31.18 66.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -137.72 126.33 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -75.33 124.2 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 469' ' ' ILE . 58.5 mt -91.15 153.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 50.6 t -115.1 138.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.71 130.05 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -147.03 145.26 29.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.611 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 95.9 m95 -70.09 110.48 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . 0.671 ' HB3' ' HG2' ' A' ' 463' ' ' LYS . . . -55.72 158.17 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.17 138.5 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 78.2 p -100.84 122.01 42.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.67 107.63 20.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 544' ' ' VAL . 11.8 p -104.47 107.91 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 48.5 p -90.72 -18.85 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 26.8 m -84.06 143.83 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.7 136.65 41.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 36.5 p -49.25 141.84 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -163.58 71.07 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 95.8 p -60.52 120.25 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 35.9 t -127.61 131.38 49.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 93.4 p -145.9 156.64 43.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 57.7 p -163.38 174.87 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 159.07 156.56 8.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 91.4 p -172.01 127.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.3 p -135.77 162.35 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 121.34 76.4 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.563 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -113.84 96.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.561 HG12 ' HD2' ' A' ' 456' ' ' PRO . 0.9 OUTLIER -94.75 137.47 22.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 111.119 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . 0.561 ' HD2' HG12 ' A' ' 455' ' ' VAL . 53.5 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 456' ' ' PRO . 18.1 tttt -34.34 118.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 460' ' ' THR . 32.7 mmtt -57.05 -66.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -51.12 86.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 458' ' ' LYS . 83.3 m -64.29 136.1 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 10.2 t -95.66 151.37 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 31.5 p -116.05 88.23 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -146.52 115.37 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.53 111.97 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 508' ' ' PHE . 12.6 tp -101.42 107.32 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 469' ' ' ILE . 3.3 p -90.55 111.43 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -101.06 163.46 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 42.4 t30 67.19 48.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 466' ' ' VAL . 48.4 mt -85.99 128.36 58.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.74 33.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -41.93 -50.79 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -46.09 -47.88 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -53.55 142.04 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -132.03 162.95 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' A' ' 493' ' ' LEU . 0.5 OUTLIER -41.94 -51.7 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -56.13 -44.51 79.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.33 -47.93 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.4 mm -66.7 -54.02 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 22.9 ttt-85 -41.1 -53.97 2.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.51 -36.54 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.4 tp -51.1 -51.79 49.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.691 ' HB2' HD11 ' A' ' 488' ' ' LEU . 85.2 m-85 -84.65 -46.23 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 47.0 t -41.51 -33.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 29.0 m -54.19 -49.0 70.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -64.86 -43.47 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -168.06 172.38 42.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.17 138.19 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 482' ' ' PHE . 85.7 mt -107.35 144.22 34.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.478 ' CG ' HD13 ' A' ' 512' ' ' ILE . 27.8 mttm -75.0 -44.1 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.6 t -172.98 149.87 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.446 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 24.8 t -119.7 123.07 70.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -115.52 121.66 43.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 475' ' ' GLN . 3.4 mp -133.02 144.69 53.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.414 ' HG3' ' CE1' ' A' ' 506' ' ' PHE . 53.4 Cg_endo -69.78 124.86 11.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -124.48 127.07 46.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -82.11 159.11 23.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 498' ' ' THR . 14.6 mmt -84.72 120.43 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 497' ' ' MET . 68.8 p 36.14 45.9 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -95.31 163.75 24.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 500' ' ' THR . 14.7 t -81.75 40.21 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.145 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 74.08 47.1 19.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -120.95 82.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.407 ' ND1' ' C ' ' A' ' 503' ' ' HIS . 0.0 OUTLIER -105.96 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -74.98 153.24 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -90.47 62.55 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.414 ' CE1' ' HG3' ' A' ' 494' ' ' PRO . 1.8 p90 -161.64 142.11 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -146.45 147.55 18.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 465' ' ' LEU . 14.4 m-85 -110.58 127.09 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 482' ' ' PHE . 69.0 t -123.87 139.09 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.16 152.1 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 10.2 m-85 -121.9 148.09 45.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.478 HD13 ' CG ' ' A' ' 489' ' ' LYS . 46.3 mm -53.61 -44.08 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 37.2 p -131.55 176.05 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -79.86 -34.95 38.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.45 -61.81 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -61.62 -44.01 97.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -48.18 -60.46 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -55.86 -54.9 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -48.32 -71.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -40.07 -66.13 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 521' ' ' PHE . 5.8 t80 -43.89 -55.93 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -46.44 -34.04 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -82.01 -48.38 11.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.517 ' HG ' ' CE1' ' A' ' 482' ' ' PHE . 4.3 mm? -60.27 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 14.1 p -49.98 -45.92 52.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.455 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 20.9 t-80 -37.38 -56.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -174.5 105.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 90.2 m -125.21 120.67 31.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.435 ' CE1' ' HG2' ' A' ' 534' ' ' ARG . 4.9 m-70 -119.23 117.06 27.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 12.6 tp -125.0 121.26 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 58.41 32.45 22.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 74.84 31.99 57.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -138.35 124.88 20.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 529' ' ' HIS . 0.0 OUTLIER -78.29 104.71 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.04 147.61 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.23 118.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.417 ' HB3' ' CE2' ' A' ' 521' ' ' PHE . 4.7 mp -98.72 134.57 41.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.47 137.42 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -73.77 97.6 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -41.42 115.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.41 88.47 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 41.5 t -81.19 158.0 25.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.99 142.48 53.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.19 112.7 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 11.7 t -59.2 131.47 51.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.48 145.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 548' ' ' SER . 69.0 mt-30 -99.04 -51.57 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 547' ' ' GLN . 74.0 m 36.34 47.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 158.39 81.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.35 36.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.7 m 47.73 53.31 11.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 34.1 t -73.2 105.73 4.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.1 t -151.02 147.31 26.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 23.0 m -86.13 165.2 16.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -157.68 45.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.543 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 95.1 p -137.72 137.99 38.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 3.8 m -47.81 -61.31 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 59.74 45.68 95.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -115.64 108.32 16.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.74 150.21 70.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.09 3.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 458' ' ' LYS . 44.2 mtpt -85.21 -50.68 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 457' ' ' LYS . 0.1 OUTLIER 33.26 41.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -117.73 134.92 54.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 26.3 m -92.97 110.47 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 2.0 t -58.18 155.61 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 66.4 p -122.65 88.67 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -146.18 122.01 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.482 HG21 ' CE2' ' A' ' 482' ' ' PHE . 66.8 mt -110.08 107.44 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 507' ' ' GLY . 13.6 tp -105.23 113.94 27.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 469' ' ' ILE . 2.6 p -94.83 132.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -120.99 166.33 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 21.0 t30 67.64 38.68 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 466' ' ' VAL . 67.0 mt -83.7 133.14 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.8 Cg_endo -69.77 145.67 57.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -49.74 -35.87 23.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 531' ' ' TYR . 23.8 mm-40 -58.46 -44.03 89.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.537 ' HB3' ' CG2' ' A' ' 469' ' ' ILE . . . -46.72 142.43 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 475' ' ' GLN . 94.0 m-20 -132.0 153.69 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.602 ' HA ' HD13 ' A' ' 493' ' ' LEU . 36.1 tt0 -38.26 -46.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -64.83 -45.4 86.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 477' ' ' GLU . 0.1 OUTLIER -48.22 -51.75 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.44 -52.6 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 488' ' ' LEU . 23.4 ttt180 -41.71 -64.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.31 -46.3 86.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 484' ' ' THR . 20.2 tp -40.69 -42.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.538 ' CE2' ' HG ' ' A' ' 524' ' ' LEU . 60.6 m-85 -92.34 -32.14 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 6.2 t -53.66 -26.44 22.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 481' ' ' LEU . 4.0 t -62.15 -32.7 73.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 524' ' ' LEU . 74.3 m-85 -79.94 -40.98 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -169.48 -171.17 34.84 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -79.12 137.64 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 479' ' ' ARG . 41.2 mt -106.12 143.59 34.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.901 ' HG2' HD13 ' A' ' 512' ' ' ILE . 7.8 mmtm -75.26 -56.09 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 6.7 t -164.35 140.97 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 479' ' ' ARG . 72.0 t -105.52 135.6 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -128.04 124.06 36.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.602 HD13 ' HA ' ' A' ' 475' ' ' GLN . 4.2 mp -136.89 148.83 64.67 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.58 6.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -109.08 133.11 53.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -50.47 137.48 19.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 14.9 ptm -118.75 157.81 26.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 68.3 p -56.6 122.02 11.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 111.77 -105.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 59.5 m -127.85 148.83 50.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.185 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 109.03 104.46 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -107.56 179.17 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.414 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 1.3 t-80 -58.66 110.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -78.64 162.68 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -79.3 61.65 4.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -157.0 133.23 9.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 465' ' ' LEU . . . -142.63 141.52 10.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -104.6 136.12 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.27 122.38 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.66 147.11 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 7.2 m-85 -118.66 157.65 27.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.901 HD13 ' HG2' ' A' ' 489' ' ' LYS . 32.7 mm -66.44 -50.72 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 75.1 p -123.25 173.36 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -75.32 -57.34 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -38.96 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -54.17 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -51.23 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -44.64 -61.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -48.63 -65.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 485' ' ' PHE . . . -39.64 -67.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 537' ' ' LEU . 13.1 t80 -45.39 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -42.38 -29.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 485' ' ' PHE . . . -88.17 -35.95 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 485' ' ' PHE . 2.4 mm? -73.05 -55.47 6.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 521' ' ' PHE . 14.6 p -48.29 -31.58 6.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -50.28 -58.09 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.1 t -166.72 106.33 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 22.4 m -122.59 94.79 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . 0.499 ' CE1' ' CG ' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -101.62 135.4 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.3 tp -147.19 127.08 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 81.0 m-85 52.39 31.07 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 79.75 19.61 70.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -130.49 122.99 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.499 ' CG ' ' CE1' ' A' ' 529' ' ' HIS . 1.2 tmt_? -83.12 104.54 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.54 HD13 HG21 ' A' ' 466' ' ' VAL . 45.4 mt -62.08 161.16 11.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 61.1 t -113.59 130.68 67.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 521' ' ' PHE . 2.6 mm? -98.78 117.74 33.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -138.64 134.17 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -76.24 149.58 37.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -120.55 113.0 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.49 142.82 26.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 42.0 m -92.71 124.37 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.7 133.39 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 544' ' ' VAL . 30.8 m -62.61 123.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 81.2 m -77.54 130.88 37.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.13 112.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -104.35 112.96 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 66.1 m -53.17 139.9 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 86.35 -163.4 35.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 p -86.46 10.57 14.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 13.6 t -160.79 119.56 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.439 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 174.21 13.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.81 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 17.1 m -136.78 167.16 21.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 135.61 92.6 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 78.9 p -121.01 150.21 41.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.7 t -76.21 94.57 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -83.57 -145.12 6.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -118.66 134.31 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.63 HG23 ' HD2' ' A' ' 456' ' ' PRO . 6.2 p -96.02 137.91 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.088 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 455' ' ' VAL . 53.6 Cg_endo -69.77 175.69 7.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 458' ' ' LYS . 9.2 ptpt -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 457' ' ' LYS . 26.1 mtpp -34.45 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.09 134.36 53.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.1 m -71.47 138.35 48.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 3.7 m -56.62 121.53 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 69.5 m -116.41 94.54 4.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 482' ' ' PHE . 47.2 mt -102.58 111.09 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.515 HD13 ' CE1' ' A' ' 508' ' ' PHE . 13.8 tp -108.97 100.13 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.823 HG13 HD11 ' A' ' 469' ' ' ILE . 2.4 p -84.75 124.3 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -111.53 171.1 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . . . . . . . . . 28.8 t30 62.82 35.94 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.823 HD11 HG13 ' A' ' 466' ' ' VAL . 86.3 mt -74.35 130.19 82.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.6 57.69 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -60.96 -13.32 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -86.78 -11.48 50.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -97.12 123.69 40.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -111.79 171.23 7.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -47.37 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 7.3 tpt85 -53.76 -49.96 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.76 -53.94 40.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 23.1 mm -59.98 -47.77 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -46.38 -56.87 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 18.2 tp -52.61 -40.21 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.675 ' CE1' HG21 ' A' ' 464' ' ' ILE . 61.7 m-85 -95.75 -45.53 6.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 486' ' ' GLY . 35.2 t -39.64 -51.08 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . . . . . . . . . 61.7 m -38.27 -41.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 520' ' ' ALA . 22.8 m-85 -69.59 -39.02 77.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 483' ' ' SER . . . 179.82 179.15 48.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.64 137.24 57.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 482' ' ' PHE . 18.8 mt -105.26 157.51 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.777 ' HG2' HD13 ' A' ' 512' ' ' ILE . 21.5 mttm -86.69 -51.24 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 134.71 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 20.0 t -98.0 111.89 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -108.64 119.41 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 3.9 mp -131.2 145.02 55.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.726 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.513 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 54.0 Cg_endo -69.8 135.67 30.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -123.41 128.47 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.88 158.55 27.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -99.91 -54.9 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 38.0 p -39.36 -50.37 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -152.5 -106.63 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 9.7 t -168.66 137.56 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 115.04 -37.82 3.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -91.89 64.73 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.513 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 0.0 OUTLIER -92.78 -175.36 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.51 141.29 28.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -74.04 68.29 1.68 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.3 OUTLIER -164.28 137.84 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -140.85 134.78 6.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 465' ' ' LEU . 12.5 m-85 -100.6 115.94 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.38 139.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.95 147.14 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.559 ' HE2' HD12 ' A' ' 464' ' ' ILE . 12.3 m-85 -118.49 149.25 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.777 HD13 ' HG2' ' A' ' 489' ' ' LYS . 33.9 mm -60.87 -42.76 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 1.6 p -118.83 178.61 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -86.95 -38.72 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -50.56 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.1 -41.94 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -57.02 -55.52 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.51 -55.86 28.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -48.11 -58.34 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 485' ' ' PHE . . . -60.83 -34.79 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.626 ' CE2' ' NE1' ' A' ' 539' ' ' TRP . 91.3 t80 -59.36 -59.45 5.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.445 ' OD1' ' NE2' ' A' ' 526' ' ' HIS . 2.0 p30 -68.6 -45.06 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -48.91 -55.69 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 525' ' ' CYS . 17.9 mt -73.12 -52.84 12.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 524' ' ' LEU . 1.7 t -36.3 -47.95 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 522' ' ' ASN . 11.6 m-70 -41.49 -70.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 62.5 m -146.45 106.13 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.535 ' CG2' HD12 ' A' ' 535' ' ' LEU . 38.6 m -122.99 96.29 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -98.33 117.75 33.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 10.7 tp -132.37 114.86 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.489 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 70.7 m-85 57.4 46.28 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 61.43 22.06 60.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -135.08 125.89 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -76.33 147.35 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 466' ' ' VAL . 72.0 mt -110.17 135.05 51.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 75.5 t -99.28 109.81 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.97 121.25 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -136.59 156.36 48.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.626 ' NE1' ' CE2' ' A' ' 521' ' ' PHE . 89.4 m95 -82.47 142.63 31.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -120.95 143.67 48.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.46 146.54 26.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 15.1 m -81.82 147.05 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -94.21 124.75 38.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.432 HG12 HG13 ' A' ' 546' ' ' VAL . 89.1 t -115.61 114.64 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 45.5 m -105.14 105.56 15.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.432 HG13 HG12 ' A' ' 544' ' ' VAL . 35.3 m -121.35 148.83 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -109.41 117.81 35.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.4 m -123.17 177.2 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -173.61 168.52 41.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.24 50.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.29 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.2 t -104.12 -49.04 3.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 39.1 t 58.69 41.41 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.434 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.9 m -154.27 138.8 16.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 53.5 p -156.96 177.63 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 131.69 91.12 0.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 58.1 p -112.55 112.6 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 25.6 p -173.55 117.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -92.64 73.0 1.43 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -118.73 71.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 12.4 p -166.16 129.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 125.33 12.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . 0.454 ' HE3' ' N ' ' A' ' 457' ' ' LYS . 0.2 OUTLIER -49.67 -49.15 48.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 542' ' ' SER . 7.2 ttpt 46.92 53.42 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 460' ' ' THR . 89.5 mm-40 57.34 48.12 15.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 459' ' ' GLN . 1.3 m 34.54 51.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 8.8 t -44.85 168.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 1.8 m -132.66 93.32 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -142.59 127.01 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . 0.492 HG21 ' CE1' ' A' ' 482' ' ' PHE . 57.5 mt -107.87 115.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.03 106.39 14.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.422 HG13 HD11 ' A' ' 469' ' ' ILE . 5.0 p -89.23 124.56 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -115.06 172.34 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 505' ' ' GLY . 15.8 t30 59.72 43.5 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.422 HD11 HG13 ' A' ' 466' ' ' VAL . 7.9 mt -82.94 132.66 50.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.76 63.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -55.61 -41.24 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -54.81 -39.21 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -64.08 141.71 58.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 477' ' ' GLU . 1.0 OUTLIER -128.41 166.15 19.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -44.03 -52.72 6.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.88 -49.04 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.428 ' H ' ' ND2' ' A' ' 474' ' ' ASN . 42.5 tp10 -52.56 -45.55 66.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 493' ' ' LEU . 42.9 mm -65.63 -47.3 86.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.404 ' HA ' HG21 ' A' ' 491' ' ' VAL . 45.8 ttp85 -52.11 -53.41 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.54 -33.02 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 484' ' ' THR . 22.5 tp -54.28 -44.31 71.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 509' ' ' VAL . 74.5 m-85 -91.25 -37.12 13.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . . . . . . . . . 15.7 t -53.74 -35.24 61.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 481' ' ' LEU . 5.5 t -58.14 -16.1 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 524' ' ' LEU . 53.1 m-85 -97.8 -42.88 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -163.38 -177.45 36.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 512' ' ' ILE . 4.6 tp10 -70.39 134.95 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 511' ' ' PHE . 38.0 mt -103.75 147.19 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' A' ' 512' ' ' ILE . 43.7 mttt -89.27 -47.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 9.7 t -174.13 138.89 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 493' ' ' LEU . 36.6 t -112.71 132.86 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -121.71 120.67 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.671 HD21 HG13 ' A' ' 478' ' ' ILE . 3.0 mp -140.83 144.1 34.4 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.35 39.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -106.73 135.14 48.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 502' ' ' ALA . 24.8 tttt -78.33 109.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 47.2 tpp -113.88 -55.79 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 17.3 p -71.17 -48.25 52.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . 116.52 -156.99 15.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 46.0 p 47.73 43.24 16.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 68.33 77.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 496' ' ' LYS . . . -95.72 -49.4 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.435 ' O ' ' ND1' ' A' ' 503' ' ' HIS . 2.1 t-80 -56.56 101.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 506' ' ' PHE . 4.6 tpt180 -62.97 150.4 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 468' ' ' ASN . . . -77.79 50.38 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 506' ' ' PHE . 0.5 OUTLIER -148.16 145.16 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -148.82 141.7 9.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -99.14 127.68 45.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 482' ' ' PHE . 59.8 t -127.75 116.23 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 511' ' ' PHE . 22.6 t0 -105.95 149.16 26.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 488' ' ' LEU . 6.9 m-85 -117.83 158.84 24.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.77 HD13 ' HG2' ' A' ' 489' ' ' LYS . 47.1 mm -69.15 -41.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 71.1 p -119.25 177.7 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -87.42 -55.69 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -43.92 -46.81 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.15 -41.05 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -75.7 -66.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -40.0 -40.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -40.48 -51.38 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -67.99 -45.5 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.58 -51.24 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 485' ' ' PHE . 10.7 mp -79.99 -53.92 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 524' ' ' LEU . 39.4 t -36.13 -56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 525' ' ' CYS . 70.8 t60 -35.99 -58.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.1 t -163.92 106.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 86.1 m -126.14 111.91 15.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -113.5 117.77 32.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 11.4 tp -123.94 130.33 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.531 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 78.7 m-85 44.13 36.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.66 31.19 65.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -89.02 110.01 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.34 141.07 40.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 538' ' ' GLU . 89.6 t -105.27 116.09 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.84 132.6 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . 0.464 ' CD ' HG12 ' A' ' 536' ' ' VAL . 3.3 mp0 -143.11 167.68 21.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.92 96.27 7.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -55.67 136.56 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -108.66 79.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . 0.43 ' O ' ' NZ ' ' A' ' 458' ' ' LYS . 30.4 t -99.6 139.04 35.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.94 164.13 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.0 p -115.94 143.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 46.5 p -69.9 120.9 16.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.74 163.62 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -169.14 128.01 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 3.2 t -80.98 163.56 23.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 158.91 83.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.71 67.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -85.27 151.35 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.5 t -146.34 123.78 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 48.9 m -136.74 169.88 17.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 4.4 m -103.06 151.03 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -123.42 176.03 16.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' SER . . . . . . . . . . . . . 69.6 m -100.72 132.46 46.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.9 m -47.68 -49.82 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 113.98 127.82 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.27 148.42 47.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 456' ' ' PRO . 3.4 t -89.81 136.27 29.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 455' ' ' VAL . 53.8 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -141.66 152.21 43.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -112.4 102.3 10.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -133.97 124.9 27.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 10.2 p -117.35 113.12 21.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' THR . . . . . . . . . . . . . 5.3 t -87.61 152.48 22.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 58.2 m -127.36 89.15 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -141.29 105.09 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' ILE . . . . . . . . . . . . . 51.0 mt -95.52 109.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 13.1 tp -104.08 99.13 8.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.904 HG13 HD11 ' A' ' 469' ' ' ILE . 3.1 p -86.17 121.25 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -110.95 172.59 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' ASN . . . . . 0.466 ' O ' HD23 ' A' ' 535' ' ' LEU . 12.6 t30 62.96 42.11 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ILE . . . . . 0.904 HD11 HG13 ' A' ' 466' ' ' VAL . 41.8 mt -88.64 136.23 31.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.637 0.732 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 469' ' ' ILE . 53.6 Cg_endo -69.75 142.55 48.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -46.13 -42.26 13.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.99 -42.41 68.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 469' ' ' ILE . . . -48.21 128.88 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -127.09 162.31 26.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -67.34 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -42.99 -33.27 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -63.62 -54.62 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 22.5 mm -68.3 -37.79 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.687 ' HG2' HG21 ' A' ' 491' ' ' VAL . 0.0 OUTLIER -51.89 -58.6 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.47 -30.31 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 484' ' ' THR . 20.5 tp -56.47 -43.31 79.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 524' ' ' LEU . 53.8 m-85 -93.77 -45.6 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 479' ' ' ARG . 10.6 t -44.34 -36.71 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 485' ' ' PHE . 9.1 t -44.48 -43.36 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . 0.522 ' CD1' HG23 ' A' ' 484' ' ' THR . 65.9 m-85 -67.86 -35.77 79.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 174.75 -179.26 46.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.46 142.79 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 479' ' ' ARG . 78.1 mt -107.33 157.52 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.839 ' HG2' HD13 ' A' ' 512' ' ' ILE . 17.1 mmtp -87.5 -45.98 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' THR . . . . . . . . . . . . . 8.2 t -169.95 133.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' VAL . . . . . 0.687 HG21 ' HG2' ' A' ' 479' ' ' ARG . 25.2 t -103.99 105.07 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -104.03 131.04 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 491' ' ' VAL . 4.0 mp -139.01 143.79 38.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 503' ' ' HIS . 53.9 Cg_endo -69.76 116.35 4.52 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.329 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -122.58 104.16 9.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.823 ' HG2' ' HB3' ' A' ' 502' ' ' ALA . 6.2 tppt? -91.86 115.16 27.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' MET . . . . . . . . . . . . . 27.8 mtt -72.04 -49.36 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' THR . . . . . . . . . . . . . 38.5 p -95.82 109.99 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 500' ' ' THR . . . 138.29 45.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 499' ' ' GLY . 40.8 p 37.91 41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 73.15 72.62 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.823 ' HB3' ' HG2' ' A' ' 496' ' ' LYS . . . -91.69 80.73 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 494' ' ' PRO . 1.7 t-80 -94.08 109.41 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.66 149.48 48.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' GLY . . . . . . . . . . . . . . . -75.91 66.57 2.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 494' ' ' PRO . 3.5 p90 -162.38 134.9 5.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.903 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -141.56 144.09 13.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.15 119.49 39.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 482' ' ' PHE . 68.5 t -121.76 125.99 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -117.69 149.02 41.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' PHE . . . . . 0.428 ' CZ ' HD21 ' A' ' 488' ' ' LEU . 13.0 m-85 -115.7 172.46 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.839 HD13 ' HG2' ' A' ' 489' ' ' LYS . 38.6 mm -83.39 -44.49 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . . . . . . . . . 73.0 p -119.17 142.23 48.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -48.92 -60.54 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -39.47 -57.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -48.31 -40.74 26.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 511' ' ' PHE . . . -72.06 -39.65 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -45.41 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 520' ' ' ALA . 15.3 ptpt -66.93 -38.39 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.6 ' O ' HD13 ' A' ' 524' ' ' LEU . . . -72.71 -32.67 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' PHE . . . . . 0.486 ' CZ ' ' NE1' ' A' ' 539' ' ' TRP . 14.8 t80 -71.85 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' C ' ' A' ' 522' ' ' ASN . 0.2 OUTLIER -58.27 -38.06 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.27 61.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.774 HD22 ' CE1' ' A' ' 482' ' ' PHE . 10.8 mp -68.5 -59.34 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 526' ' ' HIS . 1.2 p -40.08 -41.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' HIS . . . . . 0.43 ' N ' ' SG ' ' A' ' 525' ' ' CYS . 6.6 m170 -46.69 -50.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 57.2 p -172.46 106.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 535' ' ' LEU . 14.5 m -124.95 109.19 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.37 122.45 43.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.516 ' HG ' ' CD2' ' A' ' 531' ' ' TYR . 9.0 tp -132.16 127.21 35.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . 0.516 ' CD2' ' HG ' ' A' ' 530' ' ' LEU . 79.6 m-85 53.08 28.81 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.63 37.66 39.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -132.74 151.39 52.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 534' ' ' ARG . 0.8 OUTLIER -100.21 100.32 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 528' ' ' THR . 45.2 mt -75.47 137.52 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 66.3 t -102.94 128.22 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.9 mp -108.97 117.4 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -140.41 137.01 33.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' TRP . . . . . 0.486 ' NE1' ' CZ ' ' A' ' 521' ' ' PHE . 77.8 m95 -67.67 107.97 2.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -46.5 126.84 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -107.91 112.79 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 29.1 t -73.46 140.47 46.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -91.13 148.37 22.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 544' ' ' VAL . 11.0 p -100.47 127.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 76.3 p -44.77 156.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 85.9 t -129.62 104.77 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -152.82 131.21 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 5.1 t -63.94 145.37 55.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.18 30.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.48 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 46.6 m -95.99 174.52 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 32.1 t -80.22 140.03 36.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 stop_ save_