data_2dnl_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 2dnl _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 ' 426' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 428' ' ' LYS . 43.9 mtt180 -70.41 -34.33 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.516 ' HE2' ' CG ' ' A' ' 516' ' ' TRP . 6.1 ttpm? -37.52 148.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 30.2 t -139.31 128.15 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -86.98 126.97 35.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.68 129.53 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.74 116.61 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 132.09 4.38 3.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 56.8 mt -50.32 143.19 13.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -47.33 150.3 3.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.95 -2.75 12.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -133.73 39.7 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.404 ' CG1' ' N ' ' A' ' 439' ' ' ASP . 16.3 tt -112.4 159.9 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 438' ' ' ILE . 2.7 p30 -122.33 -176.98 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 441' ' ' ASP . 59.0 tt0 -58.39 -73.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.0 t0 -35.74 -60.38 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.31 -53.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.19 -41.54 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 31.9 m -59.02 -59.74 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.31 -40.92 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m -59.37 -27.49 66.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -121.25 17.74 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -79.04 -45.23 20.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -39.96 -50.65 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.461 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 65.1 m-85 -54.84 -39.11 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 153.79 161.92 10.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.58 124.48 6.76 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -145.84 177.06 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -138.77 138.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 7.8 t -97.18 134.62 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -157.57 113.12 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.55 157.27 34.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.526 0.679 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -24.13 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -119.11 55.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 6.2 tmtt? -110.33 -45.52 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -86.04 -62.29 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -43.92 -50.07 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 71.2 m -97.55 -175.37 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 465' ' ' SER . 32.0 mtmm -114.95 -50.58 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 464' ' ' LYS . 5.0 m -36.43 130.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -98.69 41.79 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -123.82 90.72 50.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.54 103.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.585 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -43.5 146.37 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm 41.08 26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 50.47 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 3.9 p90 -175.23 141.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 457' ' ' TRP . . . -163.02 175.36 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.16 136.59 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 7.8 mt -109.61 128.62 55.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.405 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 15.6 mt -115.29 90.88 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.28 132.73 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -48.41 -48.77 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -107.46 152.7 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.63 -41.72 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.6 m -40.75 -59.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.2 p -38.88 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.6 t -44.55 -55.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -49.83 -53.57 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.95 -41.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.461 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.3 tp -57.02 -57.26 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.3 mt -45.53 -52.45 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -48.35 -49.43 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.09 84.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.14 122.62 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.75 161.48 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.38 117.79 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -129.26 88.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.46 45.66 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 89.12 -41.06 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -68.74 145.31 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 60.7 mt -106.38 149.22 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -147.75 132.79 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 21.9 tp -116.49 158.89 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 78.7 m -103.25 131.26 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 511' ' ' VAL . 6.5 m -131.5 107.46 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 87.3 p -79.3 141.76 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 24.7 m -129.98 150.7 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.62 -26.5 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.1 p -109.89 -64.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.6 mm -78.19 145.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.4 mmtp -80.33 168.21 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.7 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -95.63 133.64 25.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -79.88 80.17 3.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 501' ' ' VAL . 22.7 m -69.69 151.62 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -87.6 103.21 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 23.0 mm -96.64 107.75 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -123.35 93.49 47.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.7 Cg_exo -46.44 101.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.516 ' CG ' ' HE2' ' A' ' 428' ' ' LYS . 72.4 t-105 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -98.57 0.59 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.51 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 17.4 tttt -96.31 126.93 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . 0.426 ' CG1' HG21 ' A' ' 513' ' ' ILE . 96.9 t -128.81 126.48 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -84.88 134.46 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.87 124.27 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -121.59 161.67 15.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.73 25.29 56.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.97 146.74 87.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.02 146.94 33.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -79.37 11.66 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . 0.45 ' CB ' ' OG1' ' A' ' 505' ' ' THR . 3.9 m-20 -125.35 33.71 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 443' ' ' ILE . 21.4 tt -127.4 147.37 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -114.4 -177.16 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 25.7 tt0 -52.73 -71.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 21.9 t70 -35.5 -66.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.452 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.3 mt-10 -35.26 -67.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' HD13 ' A' ' 438' ' ' ILE . 79.8 mt -42.49 -45.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 16.3 m -58.3 -57.22 13.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.9 -29.32 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 47.9 t -69.59 -25.04 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 486' ' ' LEU . 36.6 m-85 -126.38 29.55 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -89.86 -43.74 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -43.1 -30.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 75.3 m-85 -75.08 -44.43 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 160.82 159.88 10.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.22 124.99 6.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.59 -177.09 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.1 p -146.28 138.38 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 454' ' ' VAL . 2.9 t -93.3 143.1 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -159.62 109.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.562 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 14.2 p90 -99.98 148.05 34.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.68 140.81 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.618 2.212 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 58.6 50.13 9.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -96.63 -24.49 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.45 67.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.37 29.81 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 40.0 t -114.02 155.75 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -117.76 -52.07 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 77.6 p -58.14 153.71 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -92.29 40.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.28 142.67 46.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.76 166.56 23.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.562 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 74.8 Cg_exo -48.39 178.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.0 OUTLIER -37.03 -63.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.12 71.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 28.6 p90 -174.83 137.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -156.0 160.98 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.51 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 42.1 m-85 -112.99 127.96 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 35.8 mt -101.94 138.84 38.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 38.7 mt -120.28 82.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -58.14 120.17 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -45.6 -52.52 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -101.44 137.22 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.6 -45.4 94.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' SER . 46.2 m -47.03 -53.37 12.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' SER . 12.8 t -37.49 -43.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.32 -56.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -44.96 -42.35 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.18 92.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.675 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 27.0 tp -55.77 -53.63 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 60.3 mt -49.13 -36.32 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.99 -37.26 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 57.8 m -71.06 116.25 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 48.2 mt -55.01 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -154.27 141.85 19.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.19 -72.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -126.57 69.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 80.66 -19.18 7.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -103.13 148.26 25.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 54.7 mt -97.27 166.48 11.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 91.3 m-85 -159.1 141.97 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 24.1 tp -126.22 147.94 49.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.82 136.34 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.44 124.71 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.0 p -94.46 146.82 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.6 t -131.8 146.33 61.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.49 -22.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 437' ' ' ASP . 43.1 p -116.89 -51.63 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 11.1 mm -83.34 159.32 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.5 mmtm -97.14 165.89 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 507' ' ' LYS . 21.5 p-10 -35.61 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.23 133.91 20.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.24 99.21 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.45 142.07 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -84.71 109.79 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . 0.426 HG21 ' CG1' ' A' ' 429' ' ' VAL . 25.8 mm -97.3 119.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -124.62 91.44 49.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.31 131.07 22.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.486 ' CB ' ' O ' ' A' ' 428' ' ' LYS . 22.0 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 428' ' ' LYS . 71.3 mtm180 -84.5 -56.4 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.515 ' HE3' ' CG ' ' A' ' 474' ' ' PHE . 26.6 tttt -35.67 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 46.9 t -146.34 120.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -81.01 120.05 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 17.6 t -121.04 117.93 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -122.21 131.23 8.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.18 37.28 1.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.18 140.68 36.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.76 147.06 7.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.01 2.49 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 31.71 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.0 140.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.76 -176.8 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.79 -61.49 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 442' ' ' GLU . 11.2 t70 -42.19 -66.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 441' ' ' ASP . 48.4 mm-40 -35.13 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.4 mt -48.45 -45.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 18.0 m -62.73 -54.71 35.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.68 -25.87 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 14.5 m -72.28 -23.11 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -122.53 13.92 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.37 -42.37 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -43.79 -32.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 486' ' ' LEU . 85.5 m-85 -74.63 -45.69 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 158.47 166.32 17.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.79 125.58 8.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 453' ' ' LEU . 2.4 pt? -146.86 -176.41 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.1 p -149.28 140.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 10.0 t -96.38 142.55 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -156.21 108.99 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 9.8 p90 -98.73 150.33 36.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.29 131.51 11.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 3.6 m-70 61.37 47.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.67 -60.78 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -45.7 -59.77 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -47.85 -46.09 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 11.7 m -77.44 155.29 31.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 465' ' ' SER . 63.3 mttt -115.08 -58.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 464' ' ' LYS . 21.9 m -36.17 152.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -95.45 38.38 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -123.35 91.98 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.81 165.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.5 Cg_exo -46.95 179.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 469' ' ' PRO . 19.2 mmmt -33.64 -59.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.86 60.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 16.8 p90 -159.66 130.32 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.73 168.42 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.515 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 58.6 m-85 -118.23 123.53 45.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.42 134.41 42.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 19.7 mt -119.88 92.5 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -66.58 115.37 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.72 -48.03 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.2 mm-40 -97.29 103.36 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 479' ' ' GLU . 50.2 mt-10 -37.14 -42.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.6 m -44.77 -47.88 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 64.1 m -45.04 -55.14 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.83 -52.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -49.65 -59.3 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.13 50.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.439 ' HA ' ' CE1' ' A' ' 450' ' ' PHE . 36.3 tp -53.07 -56.19 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.5 mt -47.65 -47.77 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.98 -45.14 71.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.33 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.7 121.57 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.64 157.28 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -107.07 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.61 86.73 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 13.6 t0 64.64 41.9 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 95.72 -36.79 3.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -72.99 155.21 40.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 40.6 mt -114.42 144.44 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -141.17 139.55 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 26.2 tp -121.81 149.93 42.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.1 m -101.82 133.17 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 29.7 m -139.05 118.4 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 2.0 t -99.91 133.65 43.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 157.32 40.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.3 -19.53 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 61.2 p -118.76 -47.38 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.8 mm -88.53 146.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.6 mmtm -87.55 170.65 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 507' ' ' LYS . 1.1 m-20 -36.71 105.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -108.0 130.36 22.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.2 84.71 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.399 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.92 139.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -73.69 106.34 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.3 mm -100.37 97.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.2 ttt180 -117.42 93.65 43.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.87 89.76 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 514' ' ' ARG . 37.0 t-105 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.413 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 72.3 mtm180 -76.56 -40.28 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -62.98 106.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . 0.412 HG13 ' CD2' ' A' ' 486' ' ' LEU . 62.1 t -105.09 127.42 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.41 118.93 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.01 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.75 19.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.31 20.79 24.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 41.4 mt -76.18 142.34 71.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.63 147.27 6.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.02 3.44 7.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.69 21.87 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.42 HG13 ' CB ' ' A' ' 442' ' ' GLU . 16.6 tt -96.16 131.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.53 179.13 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 27.3 tt0 -51.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 17.9 t70 -34.39 -62.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.42 ' CB ' HG13 ' A' ' 438' ' ' ILE . 16.2 mt-10 -41.23 -65.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 69.0 mt -43.28 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.2 m -48.93 -56.46 8.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.5 -34.51 49.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t -68.61 -20.95 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -121.22 8.7 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -75.75 -5.38 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.24 6.86 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 486' ' ' LEU . 65.5 m-85 -119.67 -29.57 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 143.65 165.08 10.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.58 122.76 5.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.07 -176.57 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -147.57 130.04 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.1 t -92.46 123.65 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.31 100.86 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 18.3 p90 -93.61 158.55 36.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 118.53 2.21 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 60.61 50.05 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.489 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 12.1 tmtt? -84.96 -53.9 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.23 94.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 25.2 m -65.51 137.34 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -84.21 -39.82 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 42.2 t -72.06 140.23 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -88.87 41.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -115.53 95.11 42.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.36 166.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.266 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 470' ' ' LYS . 59.3 Cg_endo -72.82 -173.94 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 469' ' ' PRO . 0.0 OUTLIER -32.42 -69.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -175.21 61.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 6.6 p90 -156.0 123.83 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -142.48 164.1 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.06 111.06 19.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 55.9 mt -84.14 137.38 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 50.5 mt -124.89 77.65 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -54.03 138.67 36.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.73 -52.56 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.91 151.47 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -74.33 -39.78 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 75.0 m -44.52 -51.83 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 83.7 p -45.07 -41.2 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 92.7 t -49.41 -58.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.58 -45.62 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 450' ' ' PHE . 15.0 tp -52.88 -46.25 67.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.9 mt -67.13 -22.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -82.19 -34.06 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -86.45 -30.14 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.5 m -82.65 117.53 22.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.75 178.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -145.24 139.86 27.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -115.81 -72.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.33 70.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.62 -22.7 6.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -102.77 153.27 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.57 171.11 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -156.71 118.63 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 13.8 tp -110.47 143.82 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 25.2 p -96.7 129.99 44.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 8.2 m -127.13 126.63 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 98.2 p -107.74 119.91 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.9 p -109.77 158.14 35.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.9 -24.44 3.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 81.2 p -109.1 -66.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 34.5 mm -73.74 149.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 26.1 mmtt -91.51 171.27 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.8 m-20 -34.13 106.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.825 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -115.03 133.48 22.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.36 90.75 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.0 m -76.24 132.9 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -68.86 106.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 16.1 mm -101.7 110.2 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 516' ' ' TRP . 54.3 mtp180 -127.48 94.01 39.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.04 85.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 514' ' ' ARG . 32.3 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -95.11 -45.39 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.455 ' CG ' HD22 ' A' ' 476' ' ' LEU . 71.4 mttt -51.64 129.16 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . 0.431 ' CG1' HG22 ' A' ' 513' ' ' ILE . 42.9 t -127.25 123.81 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -85.93 125.51 33.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.91 112.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.14 119.62 4.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.3 35.57 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.96 142.39 48.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.73 146.33 8.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.0 0.4 10.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.34 30.0 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.443 HG13 ' CB ' ' A' ' 442' ' ' GLU . 17.1 tt -110.08 142.72 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -108.96 -179.38 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.1 tt0 -51.68 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 21.5 t0 -36.65 -66.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.443 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.4 mt-10 -35.14 -61.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 82.2 mt -47.07 -44.24 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 5.0 m -59.45 -59.93 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.52 -27.65 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 54.8 m -69.63 -25.45 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -126.34 26.16 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 451' ' ' GLY . 9.0 mmt180 -83.4 -49.31 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 448' ' ' ARG . 7.0 ptm180 -38.32 -38.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' A' ' 486' ' ' LEU . 49.9 m-85 -66.53 -41.75 88.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 154.12 161.28 10.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.74 122.99 5.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.6 -175.57 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 2.6 p -146.21 146.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.22 128.97 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -139.93 110.72 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.55 ' CZ2' ' HE2' ' A' ' 460' ' ' LYS . 11.3 p90 -99.42 144.3 28.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 138.21 10.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . 0.48 ' CG ' ' OE2' ' A' ' 462' ' ' GLU . 10.6 m170 61.83 43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.55 ' HE2' ' CZ2' ' A' ' 457' ' ' TRP . 19.7 tptp -77.2 -44.57 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.92 -58.83 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.48 ' OE2' ' CG ' ' A' ' 459' ' ' HIS . 1.2 pt-20 -49.72 -25.34 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 31.6 t -93.76 159.33 15.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -104.52 -62.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 66.6 m -48.81 165.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 467' ' ' PHE . 13.3 p90 -96.89 -48.41 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 466' ' ' TYR . 13.9 m-85 -33.78 96.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' TYR . 72.9 Cg_exo -43.45 163.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.1 Cg_exo -46.19 177.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.3 mptt -34.08 -51.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.56 71.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 32.1 p90 -170.85 125.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.68 161.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.23 142.07 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 73.3 mt -112.01 137.14 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.455 HD22 ' CG ' ' A' ' 428' ' ' LYS . 35.0 mt -119.18 110.18 16.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -91.23 115.44 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -49.96 -51.0 44.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -92.57 111.35 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -45.2 -43.04 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.7 t -44.71 -46.73 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 57.9 m -47.32 -41.79 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.5 -46.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.14 -67.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -38.56 -37.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' A' ' 450' ' ' PHE . 12.8 tp -63.38 -60.57 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 79.7 mt -45.99 -53.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -49.79 -45.57 49.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.03 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 49.2 m -58.09 121.98 11.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.47 156.23 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -107.37 129.6 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -147.35 106.93 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.91 48.55 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 62.8 29.25 73.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -132.39 156.28 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 29.7 mt -105.2 141.16 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -144.83 127.28 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 32.3 tp -114.97 149.37 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.4 m -98.46 132.57 43.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.97 115.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 19.5 p -83.87 153.33 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 m -142.11 149.91 53.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.85 -36.52 15.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 7.9 p -103.81 -45.58 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 mm -93.11 142.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 35.9 mmtt -85.42 172.54 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.4 p-10 -34.29 100.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . 0.405 ' HA ' ' CE ' ' A' ' 509' ' ' LYS . 0.1 OUTLIER -106.22 126.93 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.92 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.56 105.86 2.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.7 m -92.51 155.28 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.49 102.56 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . 0.431 HG22 ' CG1' ' A' ' 429' ' ' VAL . 46.9 mm -98.0 100.0 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -115.27 91.27 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.77 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.435 ' CG ' ' HG3' ' A' ' 480' ' ' GLU . 61.4 mtm-85 -59.73 -46.24 89.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.63 134.44 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 63.3 t -135.86 125.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -89.87 112.8 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 34.8 t -109.1 136.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -129.3 163.5 22.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 73.62 36.18 54.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.2 140.95 69.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.88 144.69 11.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.03 3.56 7.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.677 2.252 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.98 32.97 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.402 HG13 ' CB ' ' A' ' 442' ' ' GLU . 16.9 tt -110.96 155.71 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.33 -175.09 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.7 tm-20 -58.04 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.7 t0 -36.15 -49.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.402 ' CB ' HG13 ' A' ' 438' ' ' ILE . 13.4 mm-40 -52.01 -60.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.2 mt -47.76 -37.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 47.6 m -62.65 -59.48 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.41 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.2 m -56.6 -32.76 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -120.15 35.24 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -96.72 -31.11 12.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -55.43 -18.87 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 71.3 m-85 -89.45 -41.62 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.65 -173.68 41.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.02 120.53 5.78 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -138.22 173.87 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 12.2 p -131.41 128.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.48 118.97 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.01 98.3 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 15.5 p90 -99.65 148.95 35.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 136.59 8.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 62.36 51.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.509 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 33.4 tttp -108.92 -45.78 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.2 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.52 -46.8 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 28.2 t -47.23 144.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -87.86 -55.07 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 40.9 m -63.92 141.37 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -84.7 44.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.96 144.29 34.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.694 0.759 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 457' ' ' TRP . 61.5 Cg_endo -77.18 169.63 21.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.554 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -73.89 -175.97 2.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 469' ' ' PRO . 5.7 mtpm? -33.28 -57.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.25 72.86 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 33.3 p90 -175.09 119.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -139.23 164.16 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.87 110.44 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.29 122.14 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 89.1 mt -106.61 84.63 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.52 123.58 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -47.91 -60.24 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.3 136.58 36.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 427' ' ' ARG . 15.4 mt-10 -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.8 t -41.74 -54.69 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 56.1 p -42.97 -40.93 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.57 -58.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.79 -55.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.63 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.536 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 30.3 tp -60.35 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 68.5 mt -43.16 -53.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.06 -36.77 65.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.67 114.05 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.04 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -149.25 140.97 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.67 -73.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -126.77 70.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.39 -29.75 3.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -98.87 153.95 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 25.3 mt -94.84 167.08 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.419 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 95.8 m-85 -158.09 121.81 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.39 143.86 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -98.96 136.73 38.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.42 118.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -98.57 114.64 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.6 p -100.28 155.36 36.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.65 -20.69 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 18.7 p -119.42 -67.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.13 134.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -68.64 172.56 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.63 111.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -106.44 128.92 25.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.46 87.54 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 14.7 m -84.39 137.54 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -73.84 142.54 46.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.8 mm -123.99 119.92 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 516' ' ' TRP . 1.2 mmp_? -131.93 87.78 43.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 84.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 514' ' ' ARG . 45.4 t-105 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -89.93 -42.54 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -45.83 146.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t -137.54 143.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -106.03 117.94 35.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 475' ' ' LEU . 42.9 t -119.18 120.12 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.49 138.52 13.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.92 3.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.14 141.19 49.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -48.07 147.42 8.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.322 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 0.39 10.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -133.32 36.6 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.458 HG13 ' CB ' ' A' ' 442' ' ' GLU . 15.8 tt -120.77 133.13 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 439' ' ' ASP . 41.4 p30 -101.02 -174.83 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.0 tt0 -55.41 -69.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.4 m-20 -33.76 -64.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 442' ' ' GLU . 0.1 OUTLIER -42.12 -57.16 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 97.4 mt -50.0 -44.44 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 448' ' ' ARG . 35.4 m -55.94 -55.78 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.71 -36.64 57.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 68.1 m -62.37 -33.35 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -121.63 22.17 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 444' ' ' THR . 13.0 tpt180 -83.07 -45.8 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 448' ' ' ARG . 13.8 ptm180 -36.09 -50.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 486' ' ' LEU . 88.2 m-85 -54.56 -47.66 72.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.31 160.88 12.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.09 128.0 11.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.05 -176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.9 p -144.42 134.86 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.98 137.39 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.49 109.92 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 7.7 p90 -100.03 158.05 32.74 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.74 152.65 53.27 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 13.5 m170 63.83 43.56 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 463' ' ' SER . 37.7 tttm -93.25 -53.38 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -40.26 -53.12 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -83.31 36.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 460' ' ' LYS . 10.3 t -114.71 144.78 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.98 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 80.4 p -117.65 153.58 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -88.71 34.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -111.4 98.27 39.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -42.74 165.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -46.04 176.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -40.54 -54.35 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.54 64.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 27.1 p90 -169.55 128.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.928 0.394 . . . . 0.0 110.93 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.94 175.2 10.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -122.31 137.84 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 431' ' ' VAL . 23.6 mt -114.22 136.98 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 22.0 mt -117.45 90.2 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -60.32 -65.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.07 121.15 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -48.09 -37.48 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.4 m -49.48 -51.41 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 5.9 m -43.51 -43.88 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.4 t -48.52 -53.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -59.03 -52.99 63.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.72 50.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 450' ' ' PHE . 16.2 tp -57.86 -51.88 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.456 ' CG2' HD12 ' A' ' 497' ' ' LEU . 49.8 mt -56.36 -42.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.6 -41.17 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.82 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 80.5 m -67.47 112.34 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.67 178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -141.4 138.64 33.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -70.29 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -133.7 72.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.57 -28.12 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -102.65 153.16 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 16.0 mt -92.19 174.09 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 92.1 m-85 -159.93 119.99 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.5 tp -111.16 135.77 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.7 m -86.59 136.56 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.5 m -134.5 117.45 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 78.1 p -100.01 124.76 45.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.1 m -113.09 158.85 36.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.11 -21.88 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 32.9 p -120.3 -53.19 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 507' ' ' LYS . 49.5 mm -78.61 142.11 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 508' ' ' ASP . 1.2 mmmm -86.62 167.53 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.2 p-10 -35.12 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -103.08 127.02 30.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.27 84.8 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.15 144.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -80.05 107.57 12.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.0 107.26 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -125.91 93.05 44.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.735 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 90.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 477' ' ' PHE . 6.3 mtp-105 -87.76 -35.11 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -58.97 131.26 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 92.5 t -126.1 125.4 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -88.57 108.8 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 513' ' ' ILE . 19.2 t -106.21 118.66 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -117.13 171.29 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.35 77.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.08 143.6 35.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.14 142.96 8.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -80.1 14.5 1.91 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.721 2.28 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 438' ' ' ILE . 1.6 m-20 -132.77 -38.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 437' ' ' ASP . 15.4 tt -36.95 137.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.49 -174.83 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 441' ' ' ASP . 32.7 tt0 -61.28 -70.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 440' ' ' GLU . 0.5 OUTLIER -34.1 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 441' ' ' ASP . 9.9 mt-10 -34.47 -63.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 87.9 mt -39.91 -56.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.3 m -50.02 -54.85 17.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.14 -28.46 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.5 t -69.7 -20.76 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.33 12.83 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -69.7 -42.39 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -39.85 -49.87 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 486' ' ' LEU . 88.3 m-85 -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.87 -167.75 39.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 123.72 7.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 453' ' ' LEU . 2.3 pt? -144.65 -175.54 4.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.42 145.84 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.51 118.48 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.68 113.21 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.459 ' CE2' ' HG3' ' A' ' 460' ' ' LYS . 3.0 p90 -99.89 159.1 30.8 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.86 -54.79 3.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 463' ' ' SER . 94.1 m-70 -97.97 74.78 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.459 ' HG3' ' CE2' ' A' ' 457' ' ' TRP . 37.7 tttm -108.12 -55.3 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.87 -58.05 10.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.61 -49.82 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 459' ' ' HIS . 27.8 t -46.6 120.24 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -30.63 23.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 12.1 p -78.22 -179.08 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 467' ' ' PHE . 34.2 p90 -116.07 21.15 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 42.0 m-85 -107.86 94.93 13.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.19 165.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.4 Cg_exo -45.87 177.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.9 ttmm -35.51 -59.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -173.57 49.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 6.9 p90 -147.15 137.34 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.31 164.15 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -114.98 119.74 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.46 135.27 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' A' ' 427' ' ' ARG . 41.7 mt -116.6 95.81 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.469 ' O ' ' NE ' ' A' ' 427' ' ' ARG . 82.3 m-85 -69.23 109.46 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -46.67 -41.48 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -102.7 118.55 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -49.64 -32.76 13.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' SER . 37.5 p -54.83 -55.84 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 481' ' ' SER . 23.1 m -37.53 -45.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.96 -52.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 485' ' ' ALA . 66.8 tp60 -55.62 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 484' ' ' GLN . . . -34.39 -39.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' A' ' 450' ' ' PHE . 17.5 tp -63.68 -57.34 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 95.4 mt -48.38 -34.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.42 -36.37 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.29 -42.38 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.37 111.2 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.3 mt -44.39 164.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -118.21 122.74 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.28 87.82 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 20.3 t0 72.06 41.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.44 -35.04 3.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.56 163.26 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 81.6 mt -119.74 151.72 38.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -148.33 146.99 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.3 tp -129.42 143.66 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.55 132.54 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 12.4 m -144.02 121.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -110.54 130.3 55.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 506' ' ' ILE . 49.3 m -106.83 155.71 38.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.58 -19.51 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 41.2 p -116.18 -34.11 4.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 503' ' ' SER . 48.2 mm -105.06 144.55 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -87.1 164.9 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -33.82 110.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -117.44 128.75 25.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 92.59 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 11.7 m -80.67 132.46 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.92 103.67 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . 0.432 ' CD1' HG11 ' A' ' 431' ' ' VAL . 6.8 mm -96.71 113.12 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 516' ' ' TRP . 7.8 mtp-105 -127.12 93.24 42.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.9 87.83 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 514' ' ' ARG . 53.9 t-105 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -97.46 -31.42 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.46 137.35 53.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.65 116.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -83.95 132.11 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 26.9 t -125.7 121.45 59.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.27 117.6 2.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 128.91 19.59 1.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 26.9 mt -67.89 144.29 97.11 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.5 148.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.265 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.63 0.39 10.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -134.84 37.46 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 18.8 tt -113.18 136.36 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -97.57 172.77 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 441' ' ' ASP . 65.3 tt0 -50.05 -68.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 10.0 t0 -37.48 -64.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 441' ' ' ASP . 6.8 mm-40 -36.32 -61.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 59.7 mt -42.79 -57.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.7 m -47.63 -57.05 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.82 -29.66 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -71.48 -25.25 62.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.38 23.66 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 451' ' ' GLY . 7.3 mmm180 -82.1 -50.83 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 448' ' ' ARG . 9.4 ptm180 -34.83 -53.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -53.04 -42.73 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 156.47 158.87 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.43 125.87 7.88 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.14 -175.18 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.05 131.74 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 12.5 t -93.45 113.98 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -128.44 114.78 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.509 ' CE2' ' HG2' ' A' ' 460' ' ' LYS . 6.0 p90 -100.05 159.31 30.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.13 125.43 6.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 62.65 37.84 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -56.46 -51.64 67.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -35.07 -44.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.96 125.92 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 75.9 p -169.27 153.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -109.51 -64.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.2 t -105.83 178.56 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . 0.543 ' O ' ' CD2' ' A' ' 466' ' ' TYR . 30.1 p90 -85.9 38.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.6 102.34 35.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.09 148.35 39.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 73.5 Cg_exo -47.44 -179.25 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 21.6 mtmm -33.82 149.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -47.19 90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 470' ' ' LYS . 11.4 p90 -174.96 135.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -168.16 171.4 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.24 122.32 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.03 148.5 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 27.5 mt -130.15 96.36 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 478' ' ' GLN . 79.8 m-85 -73.58 109.98 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 477' ' ' PHE . 11.9 tt0 -37.64 -56.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.51 156.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -42.67 21.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' SER . 26.5 t -42.04 -59.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' SER . 59.4 p -36.05 -51.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.53 -57.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -45.85 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.41 -35.23 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.92 -52.07 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 76.3 mt -56.18 -56.68 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.15 -40.5 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.23 56.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 81.1 m -65.48 142.36 58.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 28.2 mt -91.11 138.07 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -111.98 133.45 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.3 -70.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -122.15 84.67 2.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.19 16.9 3.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -139.5 144.42 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 41.1 mt -97.72 169.83 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 78.0 m-85 -158.13 126.19 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.48 135.13 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 76.3 m -89.69 132.81 34.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 17.4 m -133.52 118.19 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 12.0 m -91.55 117.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 49.3 m -102.89 155.2 36.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.04 -31.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 38.1 p -106.23 -60.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.24 137.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 508' ' ' ASP . 11.3 mmtp -75.9 172.6 12.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.7 OUTLIER -34.23 106.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.18 126.25 30.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.88 89.81 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 5.6 m -79.28 147.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -84.15 101.71 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.28 115.41 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 516' ' ' TRP . 19.4 ttm180 -127.32 93.41 41.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.72 84.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.373 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 514' ' ' ARG . 46.7 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -75.68 -43.52 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 474' ' ' PHE . 15.1 tttp -43.78 144.39 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 88.3 t -140.11 127.63 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.54 127.24 35.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 18.6 t -126.21 116.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.84 153.55 16.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 85.91 36.11 10.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.9 mt -79.13 142.47 59.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.2 146.36 6.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.29 1.76 8.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -131.56 31.73 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 16.6 tt -112.29 150.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.56 ' OD1' ' CE1' ' A' ' 467' ' ' PHE . 0.2 OUTLIER -118.4 -176.28 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 441' ' ' ASP . 6.0 tm-20 -55.28 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.4 t70 -34.34 -59.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.89 -57.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 65.9 mt -48.43 -51.98 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' THR . . . . . 0.446 HG22 ' CZ ' ' A' ' 448' ' ' ARG . 5.4 m -48.57 -52.78 21.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.8 -33.88 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 63.8 m -67.1 -28.47 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -124.77 25.63 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.6 tpp180 -87.24 -43.82 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 448' ' ' ARG . 18.8 ptt180 -37.36 -49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.542 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 52.2 m-85 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.62 -169.42 37.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.21 127.09 9.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.13 177.92 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -136.79 137.79 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 9.7 t -91.95 139.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -152.0 108.95 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 460' ' ' LYS . 3.8 p90 -100.03 149.31 35.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.93 -54.57 5.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -77.33 57.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 25.3 tttt -134.18 -53.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.81 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.47 -52.69 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 26.5 m -115.15 79.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.24 144.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 3.0 m -174.99 -178.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 466' ' ' TYR . 1.1 p90 -117.6 -23.7 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . 0.56 ' CE1' ' OD1' ' A' ' 439' ' ' ASP . 7.9 m-85 -97.48 108.81 47.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.2 160.34 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.9 Cg_exo -46.21 178.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -39.22 -38.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 169.26 66.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 31.9 p90 -175.04 123.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.33 170.07 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 428' ' ' LYS . 60.6 m-85 -117.75 138.43 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 32.8 mt -112.57 129.61 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 18.8 mt -110.52 96.2 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -73.44 134.01 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -66.87 -58.77 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.85 109.51 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -42.01 -43.91 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 38.7 t -42.93 -56.51 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 99.9 p -39.91 -52.81 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.39 -50.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -55.65 -58.76 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.19 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.542 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 29.2 tp -65.69 -54.75 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 78.2 mt -51.69 -50.92 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.45 -43.64 68.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.93 77.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 63.6 m -65.04 109.42 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.85 -178.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -147.05 142.16 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -125.58 -70.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.16 89.96 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.66 14.52 2.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -137.88 147.13 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 27.2 mt -97.56 170.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.6 m-85 -158.95 139.1 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 32.3 tp -128.84 148.5 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.05 131.13 41.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 501' ' ' VAL . 19.7 m -129.0 113.8 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 85.3 p -86.54 139.21 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.7 m -129.1 156.29 78.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.65 -39.77 18.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 39.7 p -101.55 -60.83 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.1 mm -76.18 149.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 508' ' ' ASP . 23.2 mmtm -90.73 171.45 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.67 105.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -105.24 132.08 21.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.11 93.94 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.55 146.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -81.76 104.62 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.0 mm -96.73 109.31 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -127.53 93.21 41.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.88 97.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.882 0.372 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -63.44 -44.81 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 476' ' ' LEU . 14.2 mmtm -55.54 112.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 62.6 t -114.6 104.33 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.92 123.51 21.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.43 134.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.25 159.79 23.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 81.38 17.74 70.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.66 141.52 79.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.723 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.24 145.85 7.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 4.07 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -132.87 30.66 4.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.94 162.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.73 -174.92 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -59.31 -61.54 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 442' ' ' GLU . 3.3 m-20 -45.95 -65.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 441' ' ' ASP . 10.1 mm-40 -34.45 -61.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.9 mt -45.52 -42.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 441' ' ' ASP . 38.3 m -61.76 -60.94 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.83 -25.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 21.3 t -74.38 -23.53 59.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . 0.415 ' CB ' HD13 ' A' ' 453' ' ' LEU . 37.9 m-85 -121.68 18.91 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -83.98 -22.68 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -52.14 -33.56 40.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 63.7 m-85 -80.13 -30.08 38.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 148.93 160.05 8.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.48 127.24 7.46 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 447' ' ' PHE . 2.4 pt? -146.67 168.29 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 14.9 p -130.37 132.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.57 147.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.86 108.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CH2' ' NZ ' ' A' ' 460' ' ' LYS . 5.4 p90 -99.04 153.1 37.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.539 0.685 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.98 -61.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.23 71.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.481 ' NZ ' ' CH2' ' A' ' 457' ' ' TRP . 21.0 tttp -121.32 -69.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.28 69.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.12 33.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 4.1 t -132.27 173.03 11.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -115.62 -44.36 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 28.8 t -84.98 159.68 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -105.95 31.31 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -110.68 97.0 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.36 102.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.589 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -44.04 152.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 469' ' ' PRO . 12.0 tttp 35.71 31.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 45.57 93.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.43 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 4.4 p90 -175.25 138.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -161.89 165.68 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.063 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -113.95 123.36 49.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.4 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.442 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 27.2 mt -120.01 79.65 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.08 116.64 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -39.08 -44.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -111.45 149.03 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -72.01 -42.26 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 482' ' ' SER . 40.0 t -39.78 -62.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 481' ' ' SER . 51.8 p -35.29 -52.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 482' ' ' SER . 96.6 t -34.37 -48.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -55.89 -53.85 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -52.71 -30.51 32.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 23.9 tp -69.5 -52.43 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.47 -43.01 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.51 -45.9 90.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.88 80.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.47 115.86 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.31 -178.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 492' ' ' GLU . 6.6 tm-20 -142.42 138.46 31.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' A' ' 492' ' ' GLU . 9.7 tt0 -116.49 -72.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.85 71.34 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 81.88 -23.85 4.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -102.97 152.89 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 24.3 mt -94.31 170.87 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 70.5 m-85 -160.36 129.99 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 16.1 tp -123.86 130.52 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.51 142.17 34.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.99 113.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 99.3 p -88.29 131.99 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.2 m -116.66 156.84 47.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -22.31 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 42.8 p -120.67 -63.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.32 145.7 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.6 mmmt -84.62 166.46 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.8 OUTLIER -34.66 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -107.62 130.95 22.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.69 101.83 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.3 m -96.25 125.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -57.7 141.53 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.4 mm -128.45 129.54 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.1 ttt180 -145.6 105.03 4.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.67 78.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 514' ' ' ARG . 76.7 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 428' ' ' LYS . 76.9 mtm180 -57.05 -58.36 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.541 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 48.6 tttp -35.52 128.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 430' ' ' PHE . 60.0 t -122.05 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.462 ' N ' HG11 ' A' ' 429' ' ' VAL . 23.9 t80 -98.69 113.34 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 37.2 t -112.83 116.84 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.02 139.39 15.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 102.48 31.69 5.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.3 mt -78.24 142.12 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.62 146.37 7.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.85 -0.12 10.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -134.97 38.69 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.1 141.26 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.29 -176.26 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.1 tt0 -60.01 -70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 440' ' ' GLU . 1.5 m-20 -34.15 -59.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.27 -47.86 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 11.4 m -52.87 -55.78 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.73 -38.52 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 475' ' ' LEU . 91.6 m-85 -121.11 33.43 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -97.5 -41.9 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -24.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 486' ' ' LEU . 88.8 m-85 -78.06 -37.19 47.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 155.55 157.8 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 119.35 2.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -138.85 -177.11 4.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.8 p -141.07 134.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.528 HG11 ' CE3' ' A' ' 457' ' ' TRP . 45.5 t -87.3 117.52 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.27 102.03 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.528 ' CE3' HG11 ' A' ' 455' ' ' VAL . 9.0 p90 -99.84 155.41 36.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 149.07 61.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 7.9 m170 65.46 53.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 461' ' ' ALA . 22.6 tttt -100.54 -58.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -36.74 -56.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -50.01 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 27.7 m -79.83 84.52 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.18 78.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.4 t -169.33 158.86 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -88.69 38.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.01 126.91 26.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.451 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 62.5 Cg_endo -77.99 159.93 30.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 472' ' ' TYR . 71.8 Cg_exo -46.28 178.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 86.4 mttt -34.02 -49.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 179.17 68.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 469' ' ' PRO . 20.7 p90 -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -147.11 171.69 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.541 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 84.2 m-85 -120.43 120.15 35.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 447' ' ' PHE . 69.2 mt -92.63 125.62 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 53.0 mt -110.33 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -52.27 149.19 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -76.55 -62.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -90.15 115.3 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.26 -37.16 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 48.1 m -52.02 -42.25 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 59.8 p -56.0 -27.36 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.71 -49.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -51.33 -55.48 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.02 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.515 HD11 ' CZ ' ' A' ' 450' ' ' PHE . 23.1 tp -55.81 -60.94 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.9 mt -42.95 -58.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.45 -42.53 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.06 80.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 56.6 m -66.3 113.28 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.48 -177.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.46 138.72 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -117.91 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -125.34 70.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.42 -29.31 3.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -98.24 154.83 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 22.6 mt -95.15 170.87 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 96.8 m-85 -159.79 134.17 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 19.7 tp -120.62 141.68 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.3 m -92.83 129.11 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.79 114.59 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 23.9 p -90.13 130.16 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 36.9 m -117.66 157.64 47.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.89 -19.54 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 31.0 p -131.02 -65.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.91 103.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -46.67 171.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -42.5 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -108.02 134.33 20.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.73 92.15 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 513' ' ' ILE . 35.4 m -84.96 147.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -80.75 107.95 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . 0.427 ' CD1' HG23 ' A' ' 511' ' ' VAL . 28.0 mm -97.08 99.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 516' ' ' TRP . 18.2 ttt180 -117.85 94.02 45.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.2 Cg_exo -45.39 87.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 514' ' ' ARG . 64.4 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.46 ' NE ' ' HG3' ' A' ' 480' ' ' GLU . 8.8 mtt85 -79.51 -32.75 42.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -59.32 137.84 57.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 53.8 t -126.17 138.18 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -98.34 111.3 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 49.1 t -108.64 119.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.09 154.74 16.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 79.78 43.16 10.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.98 142.6 41.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -47.93 144.98 10.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.707 2.272 . . . . 0.0 112.403 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.97 0.69 9.83 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -134.02 36.63 3.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 17.3 tt -115.65 135.49 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.97 172.89 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 441' ' ' ASP . 19.7 tt0 -52.92 -70.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.7 m-20 -35.81 -54.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.99 -57.4 3.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.0 mt -49.29 -44.03 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 26.6 m -55.89 -55.14 36.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.62 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 58.1 m -57.81 -32.16 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -121.9 35.23 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 451' ' ' GLY . 13.8 tpt180 -98.87 -43.6 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 3.4 ptp180 -39.0 -44.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.513 ' CE2' HD11 ' A' ' 486' ' ' LEU . 92.5 m-85 -60.73 -41.34 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.95 -170.6 40.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.14 120.93 5.89 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -139.52 -177.71 5.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.4 p -140.74 134.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 19.2 t -89.53 113.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -128.45 103.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.547 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 7.8 p90 -99.43 155.81 36.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.98 155.55 52.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.228 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 64.45 31.99 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.492 ' HD3' ' CE2' ' A' ' 457' ' ' TRP . 30.6 tptt -79.2 -47.69 15.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -44.26 -64.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.34 -47.36 81.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 18.2 t -69.46 81.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -29.67 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 36.8 m -63.36 139.49 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -81.97 42.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.58 116.32 22.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.42 169.18 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.547 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 61.7 Cg_endo -77.05 179.9 6.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.5 mptp? -33.84 -55.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.26 72.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.428 ' O ' ' CD1' ' A' ' 472' ' ' TYR . 15.7 p90 -174.75 121.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.97 172.13 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.4 128.42 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 33.1 mt -103.62 126.45 50.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 57.7 mt -109.0 84.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -58.94 126.56 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -44.83 -63.24 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -98.95 161.61 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.46 ' HG3' ' NE ' ' A' ' 427' ' ' ARG . 30.2 mt-10 -76.48 -45.77 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 480' ' ' GLU . 2.4 m -35.23 -53.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 24.9 p -44.04 -48.72 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.8 t -42.57 -48.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.1 -53.18 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -53.26 -39.2 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 450' ' ' PHE . 14.4 tp -63.1 -54.74 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 47.9 mt -51.24 -57.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -46.25 -38.82 9.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.87 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 79.2 m -66.82 113.05 4.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.13 -177.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -145.15 142.28 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -121.35 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -126.65 70.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.41 -29.5 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -99.08 156.98 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 16.7 mt -95.59 172.88 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.7 m-85 -160.9 119.17 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 26.8 tp -109.71 142.9 40.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 60.7 m -95.43 126.0 40.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.97 120.55 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 508' ' ' ASP . 61.2 p -97.62 125.84 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 18.5 p -122.65 144.23 41.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -19.78 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 29.9 p -103.94 -57.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.1 143.99 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -72.35 171.07 12.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.416 ' CG ' ' HB3' ' A' ' 502' ' ' SER . 6.0 m-20 -43.07 101.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -100.02 132.61 22.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.18 84.92 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.86 142.04 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -80.36 114.43 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 43.0 mm -101.01 107.0 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -123.02 93.9 47.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 90.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.885 0.374 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 427' ' ' ARG . 29.3 mtm105 -45.61 -30.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.489 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 18.3 tttp -57.15 137.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.25 130.71 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -86.98 138.09 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 12.2 t -134.54 122.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -131.81 116.95 1.98 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 129.5 20.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.08 143.7 84.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.09 150.71 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.748 2.299 . . . . 0.0 112.304 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -78.81 -1.49 11.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.34 39.29 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 15.2 tt -111.44 133.69 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -91.75 -174.99 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 441' ' ' ASP . 41.4 tt0 -62.78 -66.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 444' ' ' THR . 0.3 OUTLIER -37.97 -65.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 441' ' ' ASP . 25.4 mt-10 -35.1 -56.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 73.9 mt -48.08 -43.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 441' ' ' ASP . 4.0 m -62.36 -56.88 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.2 -39.27 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 13.3 m -62.38 -27.65 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -121.52 31.31 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 448' ' ' ARG . 3.7 mmm180 -93.08 -45.24 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -39.16 -46.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 74.8 m-85 -60.76 -42.47 97.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 166.11 -174.73 41.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.46 118.23 4.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -135.03 176.8 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.1 p -134.05 134.17 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.4 t -90.36 141.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.1 114.0 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.516 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.2 p90 -100.04 159.64 29.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.79 -65.23 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -87.56 66.18 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.414 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 36.0 tttm -108.71 -49.24 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.31 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' SER . 1.1 mp0 -65.19 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' GLU . 89.6 p -34.62 150.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.44 -59.36 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 87.9 p -53.87 163.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.22 36.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -116.76 92.99 39.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.99 167.78 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.516 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.85 176.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -41.87 -55.77 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.2 70.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 36.0 p90 -174.65 132.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -154.87 179.06 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.489 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 51.5 m-85 -122.36 147.61 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 56.8 mt -122.18 130.64 53.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 41.2 mt -114.18 87.51 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.81 127.8 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -41.8 -61.01 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.38 161.14 13.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.45 -44.39 35.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -39.79 -51.78 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 12.0 p -46.7 -51.8 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.28 -48.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -57.77 -60.09 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.22 -37.15 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 20.8 tp -67.4 -59.32 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 87.7 mt -42.22 -53.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.78 -40.06 72.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.67 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.29 117.05 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.21 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.99 140.79 29.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -122.72 -74.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.33 70.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.56 -26.09 4.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 514' ' ' ARG . 41.4 mttt -102.65 157.61 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 14.2 mt -99.32 164.01 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -155.48 116.49 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.404 ' O ' ' CG2' ' A' ' 511' ' ' VAL . 16.0 tp -105.97 128.08 53.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 3.9 m -80.75 121.86 26.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.59 122.72 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 41.6 p -91.48 155.09 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 506' ' ' ILE . 14.8 m -147.62 156.09 45.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -45.02 -40.57 15.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 30.7 p -96.68 -54.29 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 503' ' ' SER . 49.1 mm -91.13 145.47 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.13 173.68 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.0 p-10 -34.3 110.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -125.92 109.58 24.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.58 129.4 23.32 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 499' ' ' LEU . 2.5 m -119.33 134.48 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -65.56 101.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.1 mm -97.96 111.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 516' ' ' TRP . 26.0 mmm180 -126.29 93.14 43.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 72.5 Cg_exo -47.12 84.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.486 ' N ' ' O ' ' A' ' 514' ' ' ARG . 70.8 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -83.73 -12.34 55.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.492 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 14.3 tptm -78.4 109.71 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 74.3 t -113.93 128.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -91.4 137.33 32.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 5.5 t -128.45 131.28 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -128.56 149.71 18.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.62 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.76 143.57 90.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.704 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.34 147.67 5.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.05 0.79 9.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -132.71 34.7 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 442' ' ' GLU . 21.2 tt -112.28 128.86 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.68 173.14 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.0 tt0 -46.16 -69.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.2 t0 -34.22 -64.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.463 ' CB ' HG13 ' A' ' 438' ' ' ILE . 5.5 mm-40 -35.67 -59.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.06 -47.4 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 448' ' ' ARG . 6.7 m -55.15 -59.57 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.22 -26.51 60.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 62.5 m -73.1 -27.3 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.0 13.46 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 444' ' ' THR . 15.5 tpt180 -80.3 -31.58 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -55.1 -14.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.552 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.5 m-85 -93.93 -24.61 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 142.97 159.56 8.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.76 118.22 2.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.89 -178.07 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 6.3 p -141.75 142.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.7 t -99.71 141.37 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.7 112.6 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 2.3 p90 -100.18 159.02 30.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.54 -65.31 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' A' ' 459' ' ' HIS . 23.2 p80 -97.76 83.69 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 457' ' ' TRP . 6.9 ptmt -118.9 -38.78 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -84.82 -47.86 9.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.34 -47.81 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.6 m -54.29 162.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 23.65 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 16.7 m -142.39 157.76 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 467' ' ' PHE . 2.3 p90 -81.22 -52.48 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 466' ' ' TYR . 19.7 m-85 -33.29 96.38 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.66 0.743 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 466' ' ' TYR . 71.3 Cg_exo -45.42 171.0 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 72.0 Cg_exo -45.82 177.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -48.28 -49.0 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -177.59 57.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.8 p90 -164.85 124.56 1.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.38 170.18 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.492 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 27.8 m-85 -118.05 146.37 44.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 38.5 mt -117.5 143.85 45.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 35.2 mt -128.87 87.87 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 482' ' ' SER . 88.0 m-85 -63.96 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -63.26 -51.16 67.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 480' ' ' GLU . 17.9 mt-10 -103.58 114.37 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 479' ' ' GLU . 19.3 mt-10 -36.95 -40.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 4.7 t -44.35 -53.57 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.52 ' HB3' ' CD1' ' A' ' 477' ' ' PHE . 3.9 m -38.05 -51.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.7 t -41.26 -55.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -50.76 -59.99 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.73 -37.99 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.552 HD12 ' CE2' ' A' ' 450' ' ' PHE . 13.0 tp -65.32 -62.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 90.9 mt -39.92 -51.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.88 -47.87 67.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.48 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 39.8 m -50.04 116.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 498' ' ' TYR . 18.3 mt -54.16 172.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.09 124.13 44.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -133.55 86.7 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.52 43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.49 -38.8 3.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -68.91 163.64 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 82.1 mt -116.5 145.13 43.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 491' ' ' LEU . 96.9 m-85 -148.45 128.72 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 32.6 tp -111.62 135.58 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 4.6 p -81.58 118.52 22.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.01 105.42 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 42.5 p -96.61 129.38 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 67.0 m -109.21 155.66 40.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.73 -21.49 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 6.7 p -109.1 -54.88 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 507' ' ' LYS . 22.9 mm -89.69 141.1 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -77.09 165.23 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 1.8 m-20 -33.73 111.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -124.68 106.24 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.08 134.3 59.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.31 137.48 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.41 114.25 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 46.1 mm -105.65 97.03 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -109.25 95.22 17.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.93 90.75 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -73.99 -40.19 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.452 ' HE3' ' CG ' ' A' ' 474' ' ' PHE . 19.6 tttp -49.49 144.45 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.73 131.59 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -89.47 129.46 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 513' ' ' ILE . 13.1 t -125.97 121.2 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -125.42 119.71 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 125.17 27.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.63 142.37 66.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.44 151.14 3.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.18 -1.13 11.32 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -134.99 40.02 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 20.1 tt -111.83 137.53 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -102.09 171.14 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 441' ' ' ASP . 67.1 tt0 -47.85 -69.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 440' ' ' GLU . 14.0 t0 -35.44 -59.84 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.71 -58.58 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.1 mt -48.42 -39.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.5 m -60.8 -55.34 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.37 -42.87 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.9 m -57.12 -32.56 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.99 31.36 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -96.56 -40.02 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 449' ' ' ARG . 4.3 ptm85 -45.26 -34.32 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.2 m-85 -70.98 -42.32 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 167.31 -171.49 42.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.51 110.18 3.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -128.04 -177.42 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -142.91 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.2 t -92.54 132.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -146.68 112.86 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.514 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 1.4 p90 -100.63 158.88 31.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.13 -66.1 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.25 90.45 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -119.06 -41.58 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -82.78 -42.51 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.08 -48.43 76.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 66.3 m -63.94 137.98 58.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -93.25 42.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 5.4 m -155.42 148.53 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -90.07 36.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -115.34 94.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.709 0.766 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.34 166.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.514 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.1 Cg_exo -45.08 170.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -47.68 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -178.45 64.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 26.7 p90 -174.22 133.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.38 178.08 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.452 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 87.7 m-85 -121.95 127.09 49.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.25 144.27 28.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 46.1 mt -130.45 96.14 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -73.84 131.36 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.88 -56.03 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.1 mt-10 -90.34 113.67 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 481' ' ' SER . 35.2 mt-10 -37.71 -47.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 482' ' ' SER . 14.9 m -36.18 -58.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 481' ' ' SER . 19.7 m -34.53 -50.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.0 t -43.24 -58.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -54.37 -60.77 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.38 -39.02 9.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.552 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.7 tp -64.79 -57.21 9.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 54.0 mt -48.35 -59.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.56 -43.36 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.48 80.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.42 115.93 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.7 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -143.88 138.89 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -117.52 -73.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -126.85 69.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.36 -27.4 3.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.44 155.46 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.5 169.13 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.95 116.19 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 18.8 tp -111.32 137.24 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 29.9 p -84.62 132.47 34.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 23.9 m -130.74 114.52 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 81.5 p -87.21 130.15 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 t -120.95 147.34 46.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.48 -22.93 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -112.03 -53.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.27 143.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.27 172.7 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.05 108.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -106.05 129.65 24.23 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -77.94 84.41 2.0 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 24.8 m -78.51 140.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.75 111.92 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . 0.411 ' CD1' HG21 ' A' ' 431' ' ' VAL . 19.0 mm -100.56 114.8 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -120.23 90.48 44.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.7 108.35 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -77.87 -52.67 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.442 ' CG ' ' CD2' ' A' ' 476' ' ' LEU . 67.4 mttt -45.32 142.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.25 117.48 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -80.48 109.38 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.07 126.28 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.42 130.86 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 118.65 12.54 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.56 143.94 98.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.25 147.05 6.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.81 0.97 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.757 2.305 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -131.86 33.11 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 19.0 tt -110.17 151.24 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.93 178.98 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.3 tt0 -52.94 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 440' ' ' GLU . 20.4 t70 -34.13 -65.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 441' ' ' ASP . 13.3 mt-10 -35.17 -54.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.23 -60.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 448' ' ' ARG . 83.8 m -45.51 -45.87 13.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.14 -39.39 82.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.1 m -65.16 -24.59 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 499' ' ' LEU . 47.5 m-85 -122.06 19.83 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 444' ' ' THR . 7.0 tpt180 -86.89 -31.59 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.545 ' HD2' ' CD1' ' A' ' 450' ' ' PHE . 0.1 OUTLIER -48.56 -33.9 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.545 ' CD1' ' HD2' ' A' ' 449' ' ' ARG . 84.8 m-85 -73.86 -31.66 63.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 153.35 -168.65 32.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.37 125.25 8.96 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.84 174.39 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 12.8 p -137.06 129.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.1 t -91.31 149.14 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -155.58 112.26 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 3.5 p90 -99.22 158.34 32.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.539 0.685 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.8 -53.6 4.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.79 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.581 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 11.1 tmtt? -125.2 -54.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.38 94.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.11 -47.51 15.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 5.5 m -82.06 122.33 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 464' ' ' LYS . 2.2 mppt? -76.18 -41.37 49.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 464' ' ' LYS . 6.6 t -36.88 133.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . 0.401 ' CE2' ' HE1' ' A' ' 467' ' ' PHE . 25.1 p90 -89.24 44.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . 0.401 ' HE1' ' CE2' ' A' ' 466' ' ' TYR . 9.4 m-85 -133.19 95.77 18.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.31 161.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 76.7 Cg_exo -49.3 178.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -39.34 -66.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.48 66.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -171.43 130.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -152.34 172.99 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -118.1 119.59 35.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 21.2 mt -93.83 142.51 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.442 ' CD2' ' CG ' ' A' ' 428' ' ' LYS . 23.6 mt -126.45 97.97 5.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.98 126.41 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -49.23 -61.07 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.33 123.19 38.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -44.88 -46.71 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.0 p -39.01 -45.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.1 t -45.83 -51.88 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.96 -50.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -54.08 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -42.95 -45.56 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.14 -59.2 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.6 mt -46.72 -52.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -51.93 -44.91 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.22 73.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.22 136.03 56.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.36 163.51 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.76 119.67 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -131.53 87.28 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.9 t70 69.45 43.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 88.52 -38.8 3.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -73.49 139.18 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 55.2 mt -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -146.02 128.99 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 447' ' ' PHE . 18.9 tp -115.81 150.16 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.2 p -97.82 131.53 44.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.45 106.48 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.1 t -87.93 146.72 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.2 m -127.59 159.23 67.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.27 -21.5 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.7 p -114.16 -63.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 17.8 mm -78.21 150.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 508' ' ' ASP . 34.6 mmtt -86.12 172.1 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.2 p-10 -38.19 104.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 126.84 33.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.17 74.99 5.08 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.0 m -61.54 152.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -88.45 103.44 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.5 mm -89.11 111.45 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -122.69 92.99 48.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.06 141.53 9.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 35.3 t-105 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -91.73 -46.16 8.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.554 ' HD2' ' CD1' ' A' ' 516' ' ' TRP . 3.1 ttmp? -65.18 131.81 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.75 132.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.99 105.28 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.2 121.22 56.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.71 150.15 18.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 87.5 37.07 8.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.7 142.05 45.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.8 141.68 15.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.99 3.8 7.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -132.96 30.81 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 442' ' ' GLU . 20.0 tt -110.53 138.61 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 440' ' ' GLU . 6.8 t70 -100.83 169.48 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 439' ' ' ASP . 38.0 tt0 -48.13 -70.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 440' ' ' GLU . 40.2 t0 -34.25 -52.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.414 ' CB ' HG13 ' A' ' 438' ' ' ILE . 22.1 mm-40 -49.14 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 63.6 mt -42.25 -48.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 2.5 m -54.1 -57.64 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.45 -38.3 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.4 m -61.24 -28.42 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -121.56 28.82 7.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 448' ' ' ARG . 1.3 mmm180 -91.02 -30.07 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -63.37 -10.32 16.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 486' ' ' LEU . 69.4 m-85 -96.28 -30.31 13.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 151.61 -171.85 31.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 124.53 8.18 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.96 179.52 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.2 p -141.54 138.45 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.407 ' N ' HG23 ' A' ' 454' ' ' VAL . 12.1 t -91.81 139.52 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -155.21 108.05 2.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.9 p90 -100.15 156.93 34.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.8 -0.29 6.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -123.47 36.35 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -86.91 -64.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.29 -56.5 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -49.24 -57.24 7.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 42.4 t -84.0 98.52 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -41.07 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 67.6 m -55.23 160.34 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -89.35 30.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -103.08 142.16 23.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.15 169.28 19.32 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 472' ' ' TYR . 58.3 Cg_endo -71.51 -179.17 3.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 36.5 mtmt -33.73 -60.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -176.13 72.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 469' ' ' PRO . 5.8 p90 -174.97 130.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -148.65 163.39 37.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -114.65 123.89 50.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 31.2 mt -103.89 115.34 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.414 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 86.7 mt -96.53 95.32 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -73.98 115.72 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -50.19 -49.08 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 115.44 28.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.28 -42.03 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 482' ' ' SER . 8.3 t -55.34 -52.58 63.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 481' ' ' SER . 3.7 t -36.26 -42.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.82 -61.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -40.98 -49.14 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.92 -47.13 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 450' ' ' PHE . 12.7 tp -52.29 -58.37 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 82.9 mt -44.97 -45.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.94 -50.48 61.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.39 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 71.5 m -48.28 120.56 3.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.64 161.81 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.97 121.66 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -134.33 97.05 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.64 40.4 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.46 -38.55 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -67.83 168.12 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 97.9 mt -120.85 154.06 36.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 512' ' ' GLN . 96.5 m-85 -154.31 136.55 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.0 tp -119.95 138.4 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.11 129.93 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 27.9 m -136.83 112.0 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.56 137.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 23.6 p -116.51 155.34 48.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 -20.29 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -111.12 -58.06 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 40.1 mm -82.79 154.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 9.5 mmtm -90.56 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 13.2 m-20 -34.21 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -109.4 113.89 57.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.1 93.5 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.69 161.94 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' A' ' 498' ' ' TYR . 47.1 tt0 -97.94 99.23 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 29.1 mm -81.95 123.4 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -130.18 90.37 42.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.19 92.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.554 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 48.9 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.402 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 49.5 mtm180 -82.44 -62.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 516' ' ' TRP . 13.3 ttpt -41.95 124.86 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 513' ' ' ILE . 66.5 t -116.4 141.14 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -101.42 106.83 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 513' ' ' ILE . 18.3 t -106.4 117.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.91 128.88 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.79 35.0 1.93 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.6 mt -82.53 142.22 46.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -46.59 148.47 3.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.56 -0.41 10.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -132.75 36.6 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 468' ' ' PRO . 18.5 tt -110.82 139.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -104.39 -178.14 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 441' ' ' ASP . 13.7 tt0 -55.56 -68.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.3 m-20 -36.38 -64.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 441' ' ' ASP . 15.8 mt-10 -35.91 -62.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -45.38 -46.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 448' ' ' ARG . 7.1 m -53.58 -60.51 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.82 -39.78 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -32.26 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -122.31 27.03 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 444' ' ' THR . 12.0 tpt180 -91.44 -44.85 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -39.9 -49.57 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.429 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.3 m-85 -53.89 -40.34 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 158.6 156.32 7.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.79 122.78 4.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.57 -175.69 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -140.28 132.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.6 t -88.22 129.26 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -146.04 108.18 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CZ2' ' HD3' ' A' ' 460' ' ' LYS . 4.2 p90 -100.14 156.62 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.509 0.671 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.94 -23.41 22.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . 0.458 ' CE1' ' OH ' ' A' ' 472' ' ' TYR . 12.0 m170 -98.1 50.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.53 ' HD3' ' CZ2' ' A' ' 457' ' ' TRP . 27.4 tptt -104.58 -54.26 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -54.36 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -43.34 -60.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.8 t -67.8 116.44 8.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 68.41 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.8 t -167.69 160.31 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -87.66 40.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -122.19 141.57 34.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.482 ' CG ' ' O ' ' A' ' 438' ' ' ILE . 62.6 Cg_endo -79.65 169.36 18.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 58.6 Cg_endo -71.92 179.66 4.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.748 2.299 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 13.0 mptt -33.87 -65.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -169.06 72.18 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 37.4 p90 -174.58 121.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -145.23 169.52 18.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.78 121.16 41.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 23.5 mt -99.71 121.89 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 31.2 mt -103.12 90.39 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 478' ' ' GLN . 69.9 m-85 -67.62 98.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 477' ' ' PHE . 16.2 tt0 -35.19 -56.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.17 108.29 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.12 -43.86 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 11.4 t -38.94 -53.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.3 m -44.06 -53.34 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 72.3 t -38.27 -59.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -48.18 -63.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.54 -49.2 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.429 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 25.2 tp -53.8 -57.79 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 69.8 mt -48.32 -55.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -46.1 -44.66 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.35 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.19 104.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.3 162.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -126.9 140.07 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -117.13 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.97 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 85.14 -26.26 5.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -101.62 155.25 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 14.2 mt -101.25 174.95 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 89.8 m-85 -160.17 125.31 3.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 18.9 tp -115.51 147.58 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.49 131.8 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 20.9 m -138.86 121.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.6 t -101.72 139.66 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.3 p -129.44 164.17 41.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -23.37 6.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.1 p -113.09 -69.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.9 146.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.3 mmtm -88.62 169.02 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.9 m-20 -34.4 108.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -106.87 132.32 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.9 61.88 8.25 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.89 141.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.59 119.05 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 429' ' ' VAL . 26.3 mm -105.0 107.58 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 516' ' ' TRP . 37.6 ttp180 -120.33 94.45 48.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.76 90.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.48 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 58.0 t-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' ARG . . . . . 0.418 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 36.5 mtp180 -45.34 -38.62 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.445 ' HD3' ' CD2' ' A' ' 476' ' ' LEU . 2.3 tppp? -56.92 131.24 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 430' ' ' PHE . 62.5 t -132.99 138.48 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.435 ' N ' HG12 ' A' ' 429' ' ' VAL . 32.4 t80 -102.66 125.86 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 48.2 t -121.53 123.68 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -120.52 155.32 16.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 82.37 42.08 8.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.4 mt -85.8 142.64 36.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 506' ' ' ILE . 74.5 Cg_exo -47.08 147.21 5.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.08 -0.57 10.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.83 39.32 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ILE . . . . . 0.47 HG13 ' CB ' ' A' ' 442' ' ' GLU . 13.5 tt -116.06 128.78 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 442' ' ' GLU . 1.8 p-10 -93.15 177.75 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 441' ' ' ASP . 48.0 tt0 -54.31 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.3 t0 -34.01 -52.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.47 ' CB ' HG13 ' A' ' 438' ' ' ILE . 6.8 mm-40 -47.28 -58.3 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.4 mt -47.63 -51.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 10.8 m -47.55 -60.3 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -47.82 -42.6 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 5.1 t -55.82 -37.4 68.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -120.0 33.56 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -93.4 -45.48 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 6.7 ptp180 -38.53 -45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 79.9 m-85 -58.01 -42.83 86.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.78 -166.38 36.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.81 126.97 9.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -147.72 -179.81 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.402 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.4 p -137.52 140.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.86 133.05 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -151.54 112.13 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.482 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.16 144.59 28.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.92 131.8 13.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 62.33 41.54 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' LYS . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 26.7 tttp -74.7 -52.91 10.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -48.25 -59.93 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 463' ' ' SER . 6.0 mm-40 -53.09 -53.5 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 462' ' ' GLU . 2.3 m -36.03 118.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -88.04 42.24 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 20.9 m -164.25 164.09 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -101.25 42.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -131.68 95.61 22.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -44.48 170.13 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.3 Cg_exo -46.69 178.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.52 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.16 67.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 41.1 p90 -171.24 130.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 110.938 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -149.17 170.94 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.98 128.59 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 20.3 mt -103.29 146.65 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' LEU . . . . . 0.445 ' CD2' ' HD3' ' A' ' 428' ' ' LYS . 34.1 mt -128.07 100.49 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -80.46 131.17 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -69.0 -55.77 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 480' ' ' GLU . 24.8 mt-10 -79.12 99.91 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 479' ' ' GLU . 35.8 mt-10 -35.31 -43.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 482' ' ' SER . 24.5 t -48.27 -57.7 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 481' ' ' SER . 8.5 t -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . 0.418 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 84.0 t -44.83 -56.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -53.32 -53.48 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.41 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . 0.566 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 18.5 tp -52.0 -54.76 25.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 67.1 mt -47.43 -51.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.46 -45.87 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.06 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 42.2 m -58.18 163.37 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 32.7 mt -115.88 139.21 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.86 130.32 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -110.06 -71.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -122.6 50.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.69 18.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.09 153.18 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 19.2 mt -94.17 171.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' TYR . . . . . 0.481 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 44.5 m-85 -159.66 126.42 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.51 130.41 53.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 88.8 m -77.72 136.86 38.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.3 111.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 68.5 m -87.49 125.99 34.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.8 m -119.93 155.01 55.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -21.0 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 46.9 p -120.9 -55.6 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 509' ' ' LYS . 37.9 mm -88.39 102.59 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.5 mmtp -52.12 173.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 507' ' ' LYS . 20.7 p-10 -34.56 107.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' LYS . . . . . 0.476 ' HD2' ' CG2' ' A' ' 506' ' ' ILE . 0.2 OUTLIER -115.61 126.04 28.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.97 93.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.86 141.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -74.8 111.65 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.0 mm -99.77 104.32 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -117.71 94.01 44.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.63 90.44 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 77.6 p -172.54 140.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 93.0 p -117.16 112.44 20.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -137.51 -47.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 424' ' ' SER . 33.0 t -102.35 -45.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 423' ' ' SER . 27.3 t -36.6 -47.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 149.24 74.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 18.5 p -86.81 121.32 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 428' ' ' LYS . 43.9 mtt180 -70.41 -34.33 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.516 ' HE2' ' CG ' ' A' ' 516' ' ' TRP . 6.1 ttpm? -37.52 148.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 30.2 t -139.31 128.15 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -86.98 126.97 35.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.68 129.53 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.74 116.61 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 132.09 4.38 3.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 56.8 mt -50.32 143.19 13.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -47.33 150.3 3.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.95 -2.75 12.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -133.73 39.7 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.404 ' CG1' ' N ' ' A' ' 439' ' ' ASP . 16.3 tt -112.4 159.9 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 438' ' ' ILE . 2.7 p30 -122.33 -176.98 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 441' ' ' ASP . 59.0 tt0 -58.39 -73.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.0 t0 -35.74 -60.38 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.31 -53.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.19 -41.54 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 31.9 m -59.02 -59.74 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.31 -40.92 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m -59.37 -27.49 66.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -121.25 17.74 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -79.04 -45.23 20.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -39.96 -50.65 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.461 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 65.1 m-85 -54.84 -39.11 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 153.79 161.92 10.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.58 124.48 6.76 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -145.84 177.06 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -138.77 138.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 7.8 t -97.18 134.62 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -157.57 113.12 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.55 157.27 34.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.526 0.679 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -24.13 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -119.11 55.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 6.2 tmtt? -110.33 -45.52 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -86.04 -62.29 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -43.92 -50.07 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 71.2 m -97.55 -175.37 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 465' ' ' SER . 32.0 mtmm -114.95 -50.58 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 464' ' ' LYS . 5.0 m -36.43 130.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -98.69 41.79 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -123.82 90.72 50.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.54 103.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.585 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -43.5 146.37 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm 41.08 26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 50.47 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 3.9 p90 -175.23 141.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 457' ' ' TRP . . . -163.02 175.36 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.16 136.59 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 7.8 mt -109.61 128.62 55.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.405 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 15.6 mt -115.29 90.88 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -68.28 132.73 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -48.41 -48.77 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -107.46 152.7 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.63 -41.72 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.6 m -40.75 -59.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.2 p -38.88 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.6 t -44.55 -55.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -49.83 -53.57 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.95 -41.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.461 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.3 tp -57.02 -57.26 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.3 mt -45.53 -52.45 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -48.35 -49.43 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.09 84.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.14 122.62 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.75 161.48 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.38 117.79 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -129.26 88.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.46 45.66 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 89.12 -41.06 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -68.74 145.31 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 60.7 mt -106.38 149.22 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -147.75 132.79 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 21.9 tp -116.49 158.89 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 78.7 m -103.25 131.26 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 511' ' ' VAL . 6.5 m -131.5 107.46 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 87.3 p -79.3 141.76 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 24.7 m -129.98 150.7 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.62 -26.5 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.1 p -109.89 -64.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.6 mm -78.19 145.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.4 mmtp -80.33 168.21 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.7 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -95.63 133.64 25.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -79.88 80.17 3.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 501' ' ' VAL . 22.7 m -69.69 151.62 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -87.6 103.21 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 23.0 mm -96.64 107.75 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -123.35 93.49 47.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.7 Cg_exo -46.44 101.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.516 ' CG ' ' HE2' ' A' ' 428' ' ' LYS . 72.4 t-105 -34.87 122.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -155.2 155.57 34.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.88 110.99 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 80.4 p -51.9 111.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -157.0 157.53 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.0 m -115.83 94.0 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 522' ' ' ASP . 0.0 OUTLIER -156.05 132.63 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -104.52 145.14 30.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 7.9 p -158.14 129.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 14.1 ptm -107.08 119.78 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -171.42 166.74 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.8 p -129.47 153.61 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -88.5 163.07 32.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.99 100.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 3.7 m -45.95 -59.36 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 36.5 m -119.85 172.96 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 18.3 m -74.76 129.66 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 t -56.07 -62.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -149.54 172.79 29.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 39.0 m -106.78 141.26 38.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.806 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 51.8 p -142.73 157.31 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 169.28 175.13 38.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.6 m -89.38 171.87 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -98.57 0.59 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.51 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 17.4 tttt -96.31 126.93 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . 0.426 ' CG1' HG21 ' A' ' 513' ' ' ILE . 96.9 t -128.81 126.48 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -84.88 134.46 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.87 124.27 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -121.59 161.67 15.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.73 25.29 56.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.97 146.74 87.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.02 146.94 33.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -79.37 11.66 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . 0.45 ' CB ' ' OG1' ' A' ' 505' ' ' THR . 3.9 m-20 -125.35 33.71 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 443' ' ' ILE . 21.4 tt -127.4 147.37 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -114.4 -177.16 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 25.7 tt0 -52.73 -71.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 21.9 t70 -35.5 -66.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.452 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.3 mt-10 -35.26 -67.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . 0.462 ' CG1' HD13 ' A' ' 438' ' ' ILE . 79.8 mt -42.49 -45.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 16.3 m -58.3 -57.22 13.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.9 -29.32 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 47.9 t -69.59 -25.04 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 486' ' ' LEU . 36.6 m-85 -126.38 29.55 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -89.86 -43.74 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -43.1 -30.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 75.3 m-85 -75.08 -44.43 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 160.82 159.88 10.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.22 124.99 6.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.59 -177.09 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.1 p -146.28 138.38 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 454' ' ' VAL . 2.9 t -93.3 143.1 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -159.62 109.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.562 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 14.2 p90 -99.98 148.05 34.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.68 140.81 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.618 2.212 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 58.6 50.13 9.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -96.63 -24.49 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.45 67.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.37 29.81 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 40.0 t -114.02 155.75 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -117.76 -52.07 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 77.6 p -58.14 153.71 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -92.29 40.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.28 142.67 46.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.76 166.56 23.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.562 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 74.8 Cg_exo -48.39 178.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.0 OUTLIER -37.03 -63.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.12 71.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 28.6 p90 -174.83 137.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -156.0 160.98 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.51 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 42.1 m-85 -112.99 127.96 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 35.8 mt -101.94 138.84 38.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 38.7 mt -120.28 82.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -58.14 120.17 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -45.6 -52.52 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -101.44 137.22 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.6 -45.4 94.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' SER . 46.2 m -47.03 -53.37 12.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' SER . 12.8 t -37.49 -43.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.32 -56.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -44.96 -42.35 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.18 92.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.675 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 27.0 tp -55.77 -53.63 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 60.3 mt -49.13 -36.32 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.99 -37.26 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 57.8 m -71.06 116.25 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 48.2 mt -55.01 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -154.27 141.85 19.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.19 -72.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -126.57 69.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 80.66 -19.18 7.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -103.13 148.26 25.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 54.7 mt -97.27 166.48 11.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 91.3 m-85 -159.1 141.97 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 24.1 tp -126.22 147.94 49.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.82 136.34 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.44 124.71 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.0 p -94.46 146.82 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.6 t -131.8 146.33 61.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.49 -22.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 437' ' ' ASP . 43.1 p -116.89 -51.63 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 11.1 mm -83.34 159.32 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.5 mmtm -97.14 165.89 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 507' ' ' LYS . 21.5 p-10 -35.61 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.23 133.91 20.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.24 99.21 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.45 142.07 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -84.71 109.79 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.426 HG21 ' CG1' ' A' ' 429' ' ' VAL . 25.8 mm -97.3 119.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -124.62 91.44 49.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.31 131.07 22.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.486 ' CB ' ' O ' ' A' ' 428' ' ' LYS . 22.0 t-105 -74.8 174.36 9.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 518' ' ' LEU . 5.0 t-20 -163.69 122.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 517' ' ' ASN . 3.3 pp -35.99 142.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 71.3 m -106.65 84.45 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -137.78 152.94 49.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.4 m -106.64 114.37 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.32 21.38 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -77.57 150.77 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 525' ' ' MET . 6.5 p -160.97 136.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 524' ' ' VAL . 8.1 ttm -36.05 121.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -48.19 130.74 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.5 t -134.23 162.4 32.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 108.89 -158.26 14.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.06 105.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 0.0 112.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.4 t -62.12 162.18 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.8 t -51.34 151.95 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.7 t -95.15 -50.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 13.5 t -92.58 -58.35 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -157.76 -163.44 12.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 58.9 m -147.51 157.92 43.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 89.0 p -132.37 127.4 35.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 118.0 161.86 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 74.3 m -71.38 176.48 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 428' ' ' LYS . 71.3 mtm180 -84.5 -56.4 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.515 ' HE3' ' CG ' ' A' ' 474' ' ' PHE . 26.6 tttt -35.67 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 46.9 t -146.34 120.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -81.01 120.05 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 17.6 t -121.04 117.93 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -122.21 131.23 8.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.18 37.28 1.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.18 140.68 36.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.76 147.06 7.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.01 2.49 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 31.71 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.0 140.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.76 -176.8 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.79 -61.49 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 442' ' ' GLU . 11.2 t70 -42.19 -66.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 441' ' ' ASP . 48.4 mm-40 -35.13 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.4 mt -48.45 -45.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 18.0 m -62.73 -54.71 35.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.68 -25.87 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 14.5 m -72.28 -23.11 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -122.53 13.92 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.37 -42.37 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -43.79 -32.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 486' ' ' LEU . 85.5 m-85 -74.63 -45.69 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 158.47 166.32 17.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.79 125.58 8.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 453' ' ' LEU . 2.4 pt? -146.86 -176.41 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.1 p -149.28 140.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 10.0 t -96.38 142.55 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -156.21 108.99 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 9.8 p90 -98.73 150.33 36.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.29 131.51 11.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 3.6 m-70 61.37 47.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.67 -60.78 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -45.7 -59.77 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -47.85 -46.09 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 11.7 m -77.44 155.29 31.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 465' ' ' SER . 63.3 mttt -115.08 -58.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 464' ' ' LYS . 21.9 m -36.17 152.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -95.45 38.38 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -123.35 91.98 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.81 165.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.5 Cg_exo -46.95 179.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 469' ' ' PRO . 19.2 mmmt -33.64 -59.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.86 60.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 16.8 p90 -159.66 130.32 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.73 168.42 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.515 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 58.6 m-85 -118.23 123.53 45.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.42 134.41 42.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 19.7 mt -119.88 92.5 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -66.58 115.37 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.72 -48.03 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.2 mm-40 -97.29 103.36 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 479' ' ' GLU . 50.2 mt-10 -37.14 -42.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.6 m -44.77 -47.88 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 64.1 m -45.04 -55.14 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 94.1 t -38.83 -52.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -49.65 -59.3 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.13 50.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.439 ' HA ' ' CE1' ' A' ' 450' ' ' PHE . 36.3 tp -53.07 -56.19 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.5 mt -47.65 -47.77 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.98 -45.14 71.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.33 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.7 121.57 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.64 157.28 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -107.07 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.61 86.73 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 13.6 t0 64.64 41.9 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 95.72 -36.79 3.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -72.99 155.21 40.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 40.6 mt -114.42 144.44 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -141.17 139.55 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 26.2 tp -121.81 149.93 42.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.1 m -101.82 133.17 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 29.7 m -139.05 118.4 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 2.0 t -99.91 133.65 43.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 157.32 40.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.3 -19.53 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 61.2 p -118.76 -47.38 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.8 mm -88.53 146.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.6 mmtm -87.55 170.65 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 507' ' ' LYS . 1.1 m-20 -36.71 105.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -108.0 130.36 22.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.2 84.71 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.399 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.92 139.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -73.69 106.34 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.3 mm -100.37 97.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.2 ttt180 -117.42 93.65 43.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.87 89.76 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 514' ' ' ARG . 37.0 t-105 -54.86 126.97 26.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -115.01 163.29 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 45.9 tp -109.52 121.12 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 7.3 t -60.85 128.39 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -130.58 139.83 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 2.2 m -97.4 88.14 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.48 140.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -144.12 160.03 41.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.45 117.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.17 107.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.14 148.07 26.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.5 m -49.3 -50.48 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 57.96 87.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.95 146.75 26.24 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 71.8 p -127.75 158.21 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 3.4 m -80.16 115.2 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 54.8 p 46.88 43.75 13.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.7 t -138.34 125.54 21.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -128.94 -56.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 t -129.15 106.85 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 5.0 m -117.94 85.77 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 83.96 -141.49 20.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.1 t -132.79 160.9 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.413 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 72.3 mtm180 -76.56 -40.28 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -62.98 106.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . 0.412 HG13 ' CD2' ' A' ' 486' ' ' LEU . 62.1 t -105.09 127.42 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.41 118.93 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.01 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.75 19.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.31 20.79 24.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 41.4 mt -76.18 142.34 71.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.63 147.27 6.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.02 3.44 7.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.69 21.87 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.42 HG13 ' CB ' ' A' ' 442' ' ' GLU . 16.6 tt -96.16 131.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.53 179.13 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 27.3 tt0 -51.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 17.9 t70 -34.39 -62.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.42 ' CB ' HG13 ' A' ' 438' ' ' ILE . 16.2 mt-10 -41.23 -65.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 69.0 mt -43.28 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.2 m -48.93 -56.46 8.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.5 -34.51 49.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.5 t -68.61 -20.95 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -121.22 8.7 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -75.75 -5.38 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.24 6.86 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 486' ' ' LEU . 65.5 m-85 -119.67 -29.57 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 143.65 165.08 10.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.58 122.76 5.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.07 -176.57 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -147.57 130.04 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.1 t -92.46 123.65 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.31 100.86 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 18.3 p90 -93.61 158.55 36.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 118.53 2.21 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 60.61 50.05 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.489 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 12.1 tmtt? -84.96 -53.9 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.23 94.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 25.2 m -65.51 137.34 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -84.21 -39.82 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 42.2 t -72.06 140.23 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -88.87 41.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -115.53 95.11 42.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.36 166.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.266 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 470' ' ' LYS . 59.3 Cg_endo -72.82 -173.94 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 469' ' ' PRO . 0.0 OUTLIER -32.42 -69.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -175.21 61.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 6.6 p90 -156.0 123.83 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -142.48 164.1 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.06 111.06 19.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 55.9 mt -84.14 137.38 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 50.5 mt -124.89 77.65 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -54.03 138.67 36.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.73 -52.56 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.91 151.47 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -74.33 -39.78 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 75.0 m -44.52 -51.83 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 83.7 p -45.07 -41.2 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 92.7 t -49.41 -58.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.58 -45.62 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 450' ' ' PHE . 15.0 tp -52.88 -46.25 67.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.9 mt -67.13 -22.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -82.19 -34.06 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -86.45 -30.14 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.5 m -82.65 117.53 22.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.75 178.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -145.24 139.86 27.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -115.81 -72.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.33 70.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.62 -22.7 6.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -102.77 153.27 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.57 171.11 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -156.71 118.63 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 13.8 tp -110.47 143.82 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 25.2 p -96.7 129.99 44.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 8.2 m -127.13 126.63 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 98.2 p -107.74 119.91 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.9 p -109.77 158.14 35.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.9 -24.44 3.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 81.2 p -109.1 -66.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 34.5 mm -73.74 149.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 26.1 mmtt -91.51 171.27 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.8 m-20 -34.13 106.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.825 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -115.03 133.48 22.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.36 90.75 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.0 m -76.24 132.9 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -68.86 106.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 16.1 mm -101.7 110.2 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 516' ' ' TRP . 54.3 mtp180 -127.48 94.01 39.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.04 85.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 514' ' ' ARG . 32.3 t-105 -56.39 130.77 46.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -123.53 108.38 12.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 tp -90.24 134.62 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 56.0 m -61.47 116.43 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -139.94 106.8 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 3.6 m -80.32 118.83 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.83 136.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.77 129.43 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 526' ' ' ASP . 0.4 OUTLIER -91.59 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 525' ' ' MET . 17.0 m-20 -35.96 119.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.0 t -104.34 104.73 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -168.46 67.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 -25.16 9.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 15.1 m -157.4 151.21 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 58.4 m -108.11 131.66 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.5 m 39.9 48.17 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.3 m -67.14 119.43 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -174.38 -139.48 2.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 47.0 t -163.97 117.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.6 m -85.88 83.72 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -146.61 173.08 26.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.0 m -59.04 147.54 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 13.0 mtm105 -95.11 -45.39 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.455 ' CG ' HD22 ' A' ' 476' ' ' LEU . 71.4 mttt -51.64 129.16 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . 0.431 ' CG1' HG22 ' A' ' 513' ' ' ILE . 42.9 t -127.25 123.81 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -85.93 125.51 33.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.91 112.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.14 119.62 4.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.3 35.57 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.96 142.39 48.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.73 146.33 8.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.0 0.4 10.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.34 30.0 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.443 HG13 ' CB ' ' A' ' 442' ' ' GLU . 17.1 tt -110.08 142.72 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -108.96 -179.38 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.1 tt0 -51.68 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 21.5 t0 -36.65 -66.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.443 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.4 mt-10 -35.14 -61.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 82.2 mt -47.07 -44.24 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 5.0 m -59.45 -59.93 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.52 -27.65 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 54.8 m -69.63 -25.45 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -126.34 26.16 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 451' ' ' GLY . 9.0 mmt180 -83.4 -49.31 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 448' ' ' ARG . 7.0 ptm180 -38.32 -38.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' A' ' 486' ' ' LEU . 49.9 m-85 -66.53 -41.75 88.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 154.12 161.28 10.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.74 122.99 5.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.6 -175.57 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 2.6 p -146.21 146.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.22 128.97 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -139.93 110.72 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.55 ' CZ2' ' HE2' ' A' ' 460' ' ' LYS . 11.3 p90 -99.42 144.3 28.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 138.21 10.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . 0.48 ' CG ' ' OE2' ' A' ' 462' ' ' GLU . 10.6 m170 61.83 43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.55 ' HE2' ' CZ2' ' A' ' 457' ' ' TRP . 19.7 tptp -77.2 -44.57 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.92 -58.83 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.48 ' OE2' ' CG ' ' A' ' 459' ' ' HIS . 1.2 pt-20 -49.72 -25.34 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 31.6 t -93.76 159.33 15.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -104.52 -62.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 66.6 m -48.81 165.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 467' ' ' PHE . 13.3 p90 -96.89 -48.41 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 466' ' ' TYR . 13.9 m-85 -33.78 96.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' TYR . 72.9 Cg_exo -43.45 163.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.1 Cg_exo -46.19 177.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.3 mptt -34.08 -51.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.56 71.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 32.1 p90 -170.85 125.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.68 161.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.23 142.07 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 73.3 mt -112.01 137.14 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.455 HD22 ' CG ' ' A' ' 428' ' ' LYS . 35.0 mt -119.18 110.18 16.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -91.23 115.44 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -49.96 -51.0 44.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -92.57 111.35 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -45.2 -43.04 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.7 t -44.71 -46.73 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 57.9 m -47.32 -41.79 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.5 -46.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.14 -67.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -38.56 -37.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' A' ' 450' ' ' PHE . 12.8 tp -63.38 -60.57 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 79.7 mt -45.99 -53.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -49.79 -45.57 49.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.03 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 49.2 m -58.09 121.98 11.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.47 156.23 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -107.37 129.6 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -147.35 106.93 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.91 48.55 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 62.8 29.25 73.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -132.39 156.28 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 29.7 mt -105.2 141.16 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -144.83 127.28 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 32.3 tp -114.97 149.37 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.4 m -98.46 132.57 43.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 23.9 m -134.97 115.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 19.5 p -83.87 153.33 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 m -142.11 149.91 53.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.85 -36.52 15.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 7.9 p -103.81 -45.58 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 mm -93.11 142.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 35.9 mmtt -85.42 172.54 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.4 p-10 -34.29 100.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . 0.405 ' HA ' ' CE ' ' A' ' 509' ' ' LYS . 0.1 OUTLIER -106.22 126.93 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.92 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.56 105.86 2.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.7 m -92.51 155.28 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.49 102.56 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.431 HG22 ' CG1' ' A' ' 429' ' ' VAL . 46.9 mm -98.0 100.0 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -115.27 91.27 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.77 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -39.71 109.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -135.16 128.62 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.66 134.26 47.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.6 t -67.1 121.57 15.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.09 171.12 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 67.6 p -125.89 -52.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -156.67 129.99 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -95.47 131.45 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 525' ' ' MET . 96.9 t -92.29 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.455 ' N ' HG13 ' A' ' 524' ' ' VAL . 33.5 mtt -131.42 140.91 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -165.43 158.03 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.4 t -119.75 143.65 47.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -177.92 95.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.06 112.64 3.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 16.7 m -94.58 113.12 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.1 t -174.15 143.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.8 m -40.84 -51.35 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.4 m -130.81 103.86 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 134.88 -165.02 24.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.3 m -123.89 150.59 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.2 t -128.61 42.09 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 179.29 152.58 10.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 8.1 m -93.43 170.68 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.435 ' CG ' ' HG3' ' A' ' 480' ' ' GLU . 61.4 mtm-85 -59.73 -46.24 89.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.63 134.44 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 63.3 t -135.86 125.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -89.87 112.8 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 34.8 t -109.1 136.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -129.3 163.5 22.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 73.62 36.18 54.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.2 140.95 69.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.88 144.69 11.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.03 3.56 7.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.677 2.252 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.98 32.97 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.402 HG13 ' CB ' ' A' ' 442' ' ' GLU . 16.9 tt -110.96 155.71 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.33 -175.09 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.7 tm-20 -58.04 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.7 t0 -36.15 -49.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.402 ' CB ' HG13 ' A' ' 438' ' ' ILE . 13.4 mm-40 -52.01 -60.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.2 mt -47.76 -37.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 47.6 m -62.65 -59.48 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.41 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.2 m -56.6 -32.76 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -120.15 35.24 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -96.72 -31.11 12.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -55.43 -18.87 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 71.3 m-85 -89.45 -41.62 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.65 -173.68 41.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.02 120.53 5.78 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -138.22 173.87 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 12.2 p -131.41 128.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.48 118.97 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.01 98.3 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 15.5 p90 -99.65 148.95 35.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 136.59 8.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 62.36 51.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.509 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 33.4 tttp -108.92 -45.78 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.2 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.52 -46.8 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 28.2 t -47.23 144.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -87.86 -55.07 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 40.9 m -63.92 141.37 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -84.7 44.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.96 144.29 34.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.694 0.759 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 457' ' ' TRP . 61.5 Cg_endo -77.18 169.63 21.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.554 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -73.89 -175.97 2.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 469' ' ' PRO . 5.7 mtpm? -33.28 -57.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.25 72.86 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 33.3 p90 -175.09 119.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -139.23 164.16 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.87 110.44 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.29 122.14 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 89.1 mt -106.61 84.63 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.52 123.58 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -47.91 -60.24 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.3 136.58 36.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' ' 427' ' ' ARG . 15.4 mt-10 -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.8 t -41.74 -54.69 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 56.1 p -42.97 -40.93 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.57 -58.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.79 -55.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.63 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.536 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 30.3 tp -60.35 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 68.5 mt -43.16 -53.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.06 -36.77 65.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.67 114.05 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.04 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -149.25 140.97 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.67 -73.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -126.77 70.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.39 -29.75 3.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -98.87 153.95 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 25.3 mt -94.84 167.08 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.419 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 95.8 m-85 -158.09 121.81 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.39 143.86 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -98.96 136.73 38.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.42 118.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -98.57 114.64 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.6 p -100.28 155.36 36.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.65 -20.69 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 18.7 p -119.42 -67.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.13 134.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -68.64 172.56 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.63 111.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -106.44 128.92 25.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.46 87.54 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 14.7 m -84.39 137.54 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -73.84 142.54 46.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.8 mm -123.99 119.92 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 516' ' ' TRP . 1.2 mmp_? -131.93 87.78 43.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 84.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 514' ' ' ARG . 45.4 t-105 -38.31 146.63 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -114.71 125.87 54.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.87 105.63 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 21.7 t -162.82 162.92 26.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -105.17 115.02 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.4 m -89.4 118.94 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.61 135.51 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -45.14 140.27 2.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.65 128.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.8 ttp -85.62 165.33 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 526' ' ' ASP . 1.6 p30 -91.16 170.23 10.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 10.1 t -162.28 117.06 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 177.53 68.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.86 152.05 31.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.383 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 9.2 t -132.75 142.94 49.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.4 p -164.31 146.39 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 30.0 m -60.42 146.81 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 74.4 p -114.43 146.53 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 125.23 -115.78 2.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 10.0 t 45.75 40.43 6.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 77.6 p -143.03 111.28 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 167.52 -53.72 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t -88.13 142.66 27.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -89.93 -42.54 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -45.83 146.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t -137.54 143.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -106.03 117.94 35.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 475' ' ' LEU . 42.9 t -119.18 120.12 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.49 138.52 13.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.92 3.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.14 141.19 49.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -48.07 147.42 8.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.322 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 0.39 10.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -133.32 36.6 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.458 HG13 ' CB ' ' A' ' 442' ' ' GLU . 15.8 tt -120.77 133.13 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 439' ' ' ASP . 41.4 p30 -101.02 -174.83 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.0 tt0 -55.41 -69.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.4 m-20 -33.76 -64.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 442' ' ' GLU . 0.1 OUTLIER -42.12 -57.16 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 97.4 mt -50.0 -44.44 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 448' ' ' ARG . 35.4 m -55.94 -55.78 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.71 -36.64 57.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 68.1 m -62.37 -33.35 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -121.63 22.17 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 444' ' ' THR . 13.0 tpt180 -83.07 -45.8 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 448' ' ' ARG . 13.8 ptm180 -36.09 -50.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 486' ' ' LEU . 88.2 m-85 -54.56 -47.66 72.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.31 160.88 12.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.09 128.0 11.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.05 -176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.9 p -144.42 134.86 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.98 137.39 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.49 109.92 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 7.7 p90 -100.03 158.05 32.74 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.74 152.65 53.27 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 13.5 m170 63.83 43.56 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 463' ' ' SER . 37.7 tttm -93.25 -53.38 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -40.26 -53.12 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -83.31 36.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 460' ' ' LYS . 10.3 t -114.71 144.78 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.98 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 80.4 p -117.65 153.58 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -88.71 34.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -111.4 98.27 39.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -42.74 165.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -46.04 176.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -40.54 -54.35 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.54 64.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 27.1 p90 -169.55 128.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.928 0.394 . . . . 0.0 110.93 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.94 175.2 10.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -122.31 137.84 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.451 HD13 ' CG2' ' A' ' 431' ' ' VAL . 23.6 mt -114.22 136.98 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 22.0 mt -117.45 90.2 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -60.32 -65.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.07 121.15 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -48.09 -37.48 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.4 m -49.48 -51.41 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 5.9 m -43.51 -43.88 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.4 t -48.52 -53.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -59.03 -52.99 63.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.72 50.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 450' ' ' PHE . 16.2 tp -57.86 -51.88 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.456 ' CG2' HD12 ' A' ' 497' ' ' LEU . 49.8 mt -56.36 -42.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.6 -41.17 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.82 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 80.5 m -67.47 112.34 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.67 178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -141.4 138.64 33.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -70.29 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -133.7 72.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.57 -28.12 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -102.65 153.16 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 16.0 mt -92.19 174.09 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 92.1 m-85 -159.93 119.99 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.5 tp -111.16 135.77 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.7 m -86.59 136.56 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.5 m -134.5 117.45 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 78.1 p -100.01 124.76 45.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.1 m -113.09 158.85 36.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.11 -21.88 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 32.9 p -120.3 -53.19 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 507' ' ' LYS . 49.5 mm -78.61 142.11 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 508' ' ' ASP . 1.2 mmmm -86.62 167.53 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.2 p-10 -35.12 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -103.08 127.02 30.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.27 84.8 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.15 144.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -80.05 107.57 12.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.0 107.26 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -125.91 93.05 44.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.735 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 90.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -45.6 95.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 518' ' ' LEU . 9.8 p-10 -99.48 115.64 29.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 517' ' ' ASN . 1.1 tp -34.19 144.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 73.1 m -80.05 -48.02 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 4.3 t70 39.27 41.21 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 47.8 t -94.8 91.8 6.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -132.67 115.58 15.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.69 146.16 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 88.1 t -140.02 130.76 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 6.8 tpt -67.41 148.78 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.59 174.53 11.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.4 m -105.13 -53.07 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 51.26 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.95 -172.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.235 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 56.7 p -68.47 -53.65 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.5 m -73.2 -64.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 421' ' ' SER . 36.7 t -72.56 158.91 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' SER . 37.8 t -38.02 147.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 93.76 177.0 39.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 66.0 m -93.68 155.19 17.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 23.9 m -79.36 168.42 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -175.49 133.17 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.8 t -154.45 150.56 27.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 477' ' ' PHE . 6.3 mtp-105 -87.76 -35.11 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -58.97 131.26 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 92.5 t -126.1 125.4 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -88.57 108.8 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 513' ' ' ILE . 19.2 t -106.21 118.66 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -117.13 171.29 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.35 77.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.08 143.6 35.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.14 142.96 8.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -80.1 14.5 1.91 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.721 2.28 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 438' ' ' ILE . 1.6 m-20 -132.77 -38.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 437' ' ' ASP . 15.4 tt -36.95 137.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.49 -174.83 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 441' ' ' ASP . 32.7 tt0 -61.28 -70.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 440' ' ' GLU . 0.5 OUTLIER -34.1 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 441' ' ' ASP . 9.9 mt-10 -34.47 -63.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 87.9 mt -39.91 -56.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.3 m -50.02 -54.85 17.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.14 -28.46 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.5 t -69.7 -20.76 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.33 12.83 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -69.7 -42.39 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -39.85 -49.87 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 486' ' ' LEU . 88.3 m-85 -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.87 -167.75 39.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 123.72 7.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 453' ' ' LEU . 2.3 pt? -144.65 -175.54 4.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.42 145.84 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.51 118.48 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.68 113.21 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.459 ' CE2' ' HG3' ' A' ' 460' ' ' LYS . 3.0 p90 -99.89 159.1 30.8 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.86 -54.79 3.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 463' ' ' SER . 94.1 m-70 -97.97 74.78 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.459 ' HG3' ' CE2' ' A' ' 457' ' ' TRP . 37.7 tttm -108.12 -55.3 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.87 -58.05 10.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.61 -49.82 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 459' ' ' HIS . 27.8 t -46.6 120.24 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -30.63 23.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 12.1 p -78.22 -179.08 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 467' ' ' PHE . 34.2 p90 -116.07 21.15 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 42.0 m-85 -107.86 94.93 13.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.19 165.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.4 Cg_exo -45.87 177.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.9 ttmm -35.51 -59.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -173.57 49.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 6.9 p90 -147.15 137.34 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.31 164.15 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -114.98 119.74 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.46 135.27 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' A' ' 427' ' ' ARG . 41.7 mt -116.6 95.81 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.469 ' O ' ' NE ' ' A' ' 427' ' ' ARG . 82.3 m-85 -69.23 109.46 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -46.67 -41.48 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -102.7 118.55 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -49.64 -32.76 13.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' SER . 37.5 p -54.83 -55.84 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 481' ' ' SER . 23.1 m -37.53 -45.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.96 -52.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 485' ' ' ALA . 66.8 tp60 -55.62 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 484' ' ' GLN . . . -34.39 -39.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' A' ' 450' ' ' PHE . 17.5 tp -63.68 -57.34 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 95.4 mt -48.38 -34.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.42 -36.37 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.29 -42.38 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.37 111.2 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.3 mt -44.39 164.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -118.21 122.74 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.28 87.82 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 20.3 t0 72.06 41.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.44 -35.04 3.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.56 163.26 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 81.6 mt -119.74 151.72 38.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -148.33 146.99 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.3 tp -129.42 143.66 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.55 132.54 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 12.4 m -144.02 121.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -110.54 130.3 55.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 506' ' ' ILE . 49.3 m -106.83 155.71 38.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.58 -19.51 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 41.2 p -116.18 -34.11 4.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 503' ' ' SER . 48.2 mm -105.06 144.55 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -87.1 164.9 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -33.82 110.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -117.44 128.75 25.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 92.59 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 11.7 m -80.67 132.46 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.92 103.67 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.432 ' CD1' HG11 ' A' ' 431' ' ' VAL . 6.8 mm -96.71 113.12 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 516' ' ' TRP . 7.8 mtp-105 -127.12 93.24 42.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.9 87.83 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 514' ' ' ARG . 53.9 t-105 -40.85 98.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 517' ' ' ASN . 2.5 p30 -73.67 108.04 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 4.4 pp -61.66 131.29 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 4.0 m -81.23 79.82 7.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -139.74 170.0 16.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 33.6 t -115.43 152.53 32.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -168.92 134.09 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -85.93 155.85 20.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 94.1 t -109.19 97.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.89 163.16 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.83 167.51 28.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.1 t -158.42 156.21 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 176.62 80.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.18 134.54 14.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 90.6 p -85.65 157.48 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 58.5 m -146.11 169.48 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 20.9 t -98.02 117.51 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 2.0 t -51.31 113.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -145.22 71.61 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 98.2 p -88.45 135.96 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 42.6 p -93.9 -58.43 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 146.15 -93.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 96.5 p -72.03 129.43 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -97.46 -31.42 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.46 137.35 53.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.65 116.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -83.95 132.11 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 26.9 t -125.7 121.45 59.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.27 117.6 2.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 128.91 19.59 1.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 26.9 mt -67.89 144.29 97.11 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.5 148.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.265 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.63 0.39 10.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -134.84 37.46 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 18.8 tt -113.18 136.36 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -97.57 172.77 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 441' ' ' ASP . 65.3 tt0 -50.05 -68.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 10.0 t0 -37.48 -64.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 441' ' ' ASP . 6.8 mm-40 -36.32 -61.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 59.7 mt -42.79 -57.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.7 m -47.63 -57.05 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.82 -29.66 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -71.48 -25.25 62.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.38 23.66 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 451' ' ' GLY . 7.3 mmm180 -82.1 -50.83 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 448' ' ' ARG . 9.4 ptm180 -34.83 -53.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -53.04 -42.73 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 156.47 158.87 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.43 125.87 7.88 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.14 -175.18 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.05 131.74 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 12.5 t -93.45 113.98 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -128.44 114.78 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.509 ' CE2' ' HG2' ' A' ' 460' ' ' LYS . 6.0 p90 -100.05 159.31 30.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.13 125.43 6.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 62.65 37.84 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -56.46 -51.64 67.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -35.07 -44.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -91.96 125.92 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 75.9 p -169.27 153.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -109.51 -64.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.2 t -105.83 178.56 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.543 ' O ' ' CD2' ' A' ' 466' ' ' TYR . 30.1 p90 -85.9 38.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.6 102.34 35.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.09 148.35 39.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 73.5 Cg_exo -47.44 -179.25 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 21.6 mtmm -33.82 149.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -47.19 90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 470' ' ' LYS . 11.4 p90 -174.96 135.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -168.16 171.4 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.24 122.32 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.03 148.5 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 27.5 mt -130.15 96.36 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 478' ' ' GLN . 79.8 m-85 -73.58 109.98 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 477' ' ' PHE . 11.9 tt0 -37.64 -56.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.51 156.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -42.67 21.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' SER . 26.5 t -42.04 -59.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' SER . 59.4 p -36.05 -51.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.53 -57.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -45.85 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.41 -35.23 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.92 -52.07 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 76.3 mt -56.18 -56.68 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.15 -40.5 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.23 56.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 81.1 m -65.48 142.36 58.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 28.2 mt -91.11 138.07 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -111.98 133.45 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.3 -70.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -122.15 84.67 2.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.19 16.9 3.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -139.5 144.42 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 41.1 mt -97.72 169.83 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 78.0 m-85 -158.13 126.19 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 22.3 tp -118.48 135.13 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 76.3 m -89.69 132.81 34.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 17.4 m -133.52 118.19 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 12.0 m -91.55 117.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 49.3 m -102.89 155.2 36.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.04 -31.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 38.1 p -106.23 -60.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.24 137.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 508' ' ' ASP . 11.3 mmtp -75.9 172.6 12.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.7 OUTLIER -34.23 106.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.18 126.25 30.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.88 89.81 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 5.6 m -79.28 147.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -84.15 101.71 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.28 115.41 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 516' ' ' TRP . 19.4 ttm180 -127.32 93.41 41.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.72 84.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.373 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 514' ' ' ARG . 46.7 t-105 -54.94 142.35 30.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.8 89.68 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.36 -49.93 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 60.6 p -120.68 175.37 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.03 147.84 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 89.4 p -129.91 162.83 27.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.14 135.82 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -104.69 134.11 48.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 10.5 p -146.13 137.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.9 tpt -75.19 121.03 21.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.2 146.36 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -130.62 130.84 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 179.78 146.06 6.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.18 101.69 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.9 t -44.5 137.38 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 82.8 p 38.74 41.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.5 t -143.28 151.15 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.6 t -49.82 -45.23 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 109.8 131.8 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.6 p -109.85 133.85 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.917 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.8 m -155.12 148.43 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 168.96 111.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.2 m -109.22 179.74 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -75.68 -43.52 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 474' ' ' PHE . 15.1 tttp -43.78 144.39 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 88.3 t -140.11 127.63 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.54 127.24 35.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 18.6 t -126.21 116.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.84 153.55 16.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 85.91 36.11 10.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.9 mt -79.13 142.47 59.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.2 146.36 6.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.29 1.76 8.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -131.56 31.73 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 16.6 tt -112.29 150.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.56 ' OD1' ' CE1' ' A' ' 467' ' ' PHE . 0.2 OUTLIER -118.4 -176.28 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 441' ' ' ASP . 6.0 tm-20 -55.28 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.4 t70 -34.34 -59.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.89 -57.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 65.9 mt -48.43 -51.98 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' THR . . . . . 0.446 HG22 ' CZ ' ' A' ' 448' ' ' ARG . 5.4 m -48.57 -52.78 21.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.8 -33.88 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 63.8 m -67.1 -28.47 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -124.77 25.63 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.6 tpp180 -87.24 -43.82 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 448' ' ' ARG . 18.8 ptt180 -37.36 -49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.542 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 52.2 m-85 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.62 -169.42 37.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.21 127.09 9.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.13 177.92 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -136.79 137.79 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 9.7 t -91.95 139.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -152.0 108.95 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 460' ' ' LYS . 3.8 p90 -100.03 149.31 35.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.93 -54.57 5.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -77.33 57.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 25.3 tttt -134.18 -53.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.81 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.47 -52.69 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 26.5 m -115.15 79.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.24 144.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 3.0 m -174.99 -178.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 466' ' ' TYR . 1.1 p90 -117.6 -23.7 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . 0.56 ' CE1' ' OD1' ' A' ' 439' ' ' ASP . 7.9 m-85 -97.48 108.81 47.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.2 160.34 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.57 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.9 Cg_exo -46.21 178.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -39.22 -38.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 169.26 66.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 31.9 p90 -175.04 123.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.33 170.07 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.566 ' CD2' ' HE3' ' A' ' 428' ' ' LYS . 60.6 m-85 -117.75 138.43 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 32.8 mt -112.57 129.61 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 18.8 mt -110.52 96.2 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -73.44 134.01 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -66.87 -58.77 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.85 109.51 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -42.01 -43.91 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 38.7 t -42.93 -56.51 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 99.9 p -39.91 -52.81 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.39 -50.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -55.65 -58.76 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.19 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.542 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 29.2 tp -65.69 -54.75 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 78.2 mt -51.69 -50.92 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.45 -43.64 68.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.93 77.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 63.6 m -65.04 109.42 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.85 -178.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -147.05 142.16 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -125.58 -70.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.16 89.96 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.66 14.52 2.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -137.88 147.13 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 27.2 mt -97.56 170.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.6 m-85 -158.95 139.1 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 32.3 tp -128.84 148.5 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.05 131.13 41.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 501' ' ' VAL . 19.7 m -129.0 113.8 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 85.3 p -86.54 139.21 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.7 m -129.1 156.29 78.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.65 -39.77 18.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 39.7 p -101.55 -60.83 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.1 mm -76.18 149.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 508' ' ' ASP . 23.2 mmtm -90.73 171.45 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.67 105.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -105.24 132.08 21.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.11 93.94 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.55 146.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -81.76 104.62 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.0 mm -96.73 109.31 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -127.53 93.21 41.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.88 97.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -59.84 89.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -75.73 94.2 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.9 tp -106.4 109.36 21.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.6 t -169.28 117.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 521' ' ' SER . 1.1 t70 -95.06 -57.84 2.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 520' ' ' ASP . 66.1 m -36.01 119.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -127.97 20.96 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -152.48 149.35 28.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 89.7 t -129.1 143.23 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 7.8 ttt -113.16 159.61 19.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.13 43.32 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 48.5 m -83.26 -46.67 12.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -122.02 95.17 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.59 96.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 16.6 t 48.42 42.21 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 33.2 t -110.5 146.04 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.6 p -115.83 142.83 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.6 t -70.52 107.24 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.03 38.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.9 t -105.06 88.7 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 p -53.59 96.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -76.6 -178.84 46.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 16.1 m -73.54 177.21 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -63.44 -44.81 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 476' ' ' LEU . 14.2 mmtm -55.54 112.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 62.6 t -114.6 104.33 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.92 123.51 21.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.43 134.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.25 159.79 23.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 81.38 17.74 70.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.66 141.52 79.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.723 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.24 145.85 7.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 4.07 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -132.87 30.66 4.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.94 162.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.73 -174.92 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -59.31 -61.54 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 442' ' ' GLU . 3.3 m-20 -45.95 -65.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 441' ' ' ASP . 10.1 mm-40 -34.45 -61.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.9 mt -45.52 -42.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 441' ' ' ASP . 38.3 m -61.76 -60.94 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.83 -25.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 21.3 t -74.38 -23.53 59.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . 0.415 ' CB ' HD13 ' A' ' 453' ' ' LEU . 37.9 m-85 -121.68 18.91 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -83.98 -22.68 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -52.14 -33.56 40.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 63.7 m-85 -80.13 -30.08 38.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 148.93 160.05 8.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.48 127.24 7.46 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 447' ' ' PHE . 2.4 pt? -146.67 168.29 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 14.9 p -130.37 132.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.57 147.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.86 108.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CH2' ' NZ ' ' A' ' 460' ' ' LYS . 5.4 p90 -99.04 153.1 37.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.539 0.685 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.98 -61.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.23 71.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.481 ' NZ ' ' CH2' ' A' ' 457' ' ' TRP . 21.0 tttp -121.32 -69.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.28 69.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.12 33.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 4.1 t -132.27 173.03 11.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -115.62 -44.36 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 28.8 t -84.98 159.68 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -105.95 31.31 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -110.68 97.0 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.36 102.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.589 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -44.04 152.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 469' ' ' PRO . 12.0 tttp 35.71 31.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 45.57 93.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.43 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 4.4 p90 -175.25 138.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -161.89 165.68 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.063 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -113.95 123.36 49.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.4 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.442 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 27.2 mt -120.01 79.65 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.08 116.64 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -39.08 -44.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -111.45 149.03 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -72.01 -42.26 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 482' ' ' SER . 40.0 t -39.78 -62.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 481' ' ' SER . 51.8 p -35.29 -52.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 482' ' ' SER . 96.6 t -34.37 -48.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -55.89 -53.85 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -52.71 -30.51 32.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 23.9 tp -69.5 -52.43 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.47 -43.01 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.51 -45.9 90.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.88 80.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.47 115.86 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.31 -178.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 492' ' ' GLU . 6.6 tm-20 -142.42 138.46 31.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' A' ' 492' ' ' GLU . 9.7 tt0 -116.49 -72.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.85 71.34 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 81.88 -23.85 4.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -102.97 152.89 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 24.3 mt -94.31 170.87 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 70.5 m-85 -160.36 129.99 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 16.1 tp -123.86 130.52 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.51 142.17 34.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.99 113.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 99.3 p -88.29 131.99 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.2 m -116.66 156.84 47.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -22.31 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 42.8 p -120.67 -63.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.32 145.7 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.6 mmmt -84.62 166.46 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.8 OUTLIER -34.66 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -107.62 130.95 22.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.69 101.83 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.3 m -96.25 125.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -57.7 141.53 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.4 mm -128.45 129.54 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.1 ttt180 -145.6 105.03 4.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 517' ' ' ASN . 54.5 Cg_exo -53.67 78.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 514' ' ' ARG . 76.7 t-105 -45.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 515' ' ' PRO . 4.1 p30 -69.81 121.38 17.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 4.5 tp -81.79 -44.93 16.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.1 p -169.56 120.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -50.67 152.92 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 85.8 p -174.87 159.98 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -167.41 120.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -88.3 128.46 35.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.19 135.02 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 31.6 ttm 59.26 41.53 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.96 89.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.6 p -54.87 93.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 159.83 95.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 530' ' ' SER . 63.3 Cg_endo -79.22 20.42 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 529' ' ' PRO . 4.7 t -34.54 118.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 21.9 t -109.53 140.99 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.3 m 50.27 45.51 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.385 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.5 m -115.69 82.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 133.69 62.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 47.2 t -159.78 145.43 15.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 60.3 p -91.08 167.55 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -173.39 124.5 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 7.1 m -80.89 146.67 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 428' ' ' LYS . 76.9 mtm180 -57.05 -58.36 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.541 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 48.6 tttp -35.52 128.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 430' ' ' PHE . 60.0 t -122.05 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.462 ' N ' HG11 ' A' ' 429' ' ' VAL . 23.9 t80 -98.69 113.34 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 37.2 t -112.83 116.84 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.02 139.39 15.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 102.48 31.69 5.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.3 mt -78.24 142.12 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.62 146.37 7.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.85 -0.12 10.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -134.97 38.69 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 16.0 tt -113.1 141.26 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.29 -176.26 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.1 tt0 -60.01 -70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 440' ' ' GLU . 1.5 m-20 -34.15 -59.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.27 -47.86 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 11.4 m -52.87 -55.78 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.73 -38.52 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 475' ' ' LEU . 91.6 m-85 -121.11 33.43 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -97.5 -41.9 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -24.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 486' ' ' LEU . 88.8 m-85 -78.06 -37.19 47.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 155.55 157.8 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 119.35 2.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -138.85 -177.11 4.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.8 p -141.07 134.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.528 HG11 ' CE3' ' A' ' 457' ' ' TRP . 45.5 t -87.3 117.52 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.27 102.03 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.528 ' CE3' HG11 ' A' ' 455' ' ' VAL . 9.0 p90 -99.84 155.41 36.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 149.07 61.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 7.9 m170 65.46 53.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 461' ' ' ALA . 22.6 tttt -100.54 -58.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -36.74 -56.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -50.01 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 27.7 m -79.83 84.52 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.18 78.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.4 t -169.33 158.86 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -88.69 38.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.01 126.91 26.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.451 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 62.5 Cg_endo -77.99 159.93 30.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 472' ' ' TYR . 71.8 Cg_exo -46.28 178.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 86.4 mttt -34.02 -49.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 179.17 68.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 469' ' ' PRO . 20.7 p90 -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -147.11 171.69 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.541 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 84.2 m-85 -120.43 120.15 35.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 447' ' ' PHE . 69.2 mt -92.63 125.62 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 53.0 mt -110.33 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -52.27 149.19 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -76.55 -62.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -90.15 115.3 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.26 -37.16 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 48.1 m -52.02 -42.25 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 59.8 p -56.0 -27.36 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 99.9 t -63.71 -49.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -51.33 -55.48 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.02 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.515 HD11 ' CZ ' ' A' ' 450' ' ' PHE . 23.1 tp -55.81 -60.94 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.9 mt -42.95 -58.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.45 -42.53 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.06 80.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 56.6 m -66.3 113.28 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.48 -177.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.46 138.72 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -117.91 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -125.34 70.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.42 -29.31 3.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -98.24 154.83 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 22.6 mt -95.15 170.87 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 96.8 m-85 -159.79 134.17 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 19.7 tp -120.62 141.68 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.3 m -92.83 129.11 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.79 114.59 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 23.9 p -90.13 130.16 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 36.9 m -117.66 157.64 47.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.89 -19.54 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 31.0 p -131.02 -65.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.91 103.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -46.67 171.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -42.5 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -108.02 134.33 20.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.73 92.15 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 513' ' ' ILE . 35.4 m -84.96 147.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -80.75 107.95 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.427 ' CD1' HG23 ' A' ' 511' ' ' VAL . 28.0 mm -97.08 99.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 516' ' ' TRP . 18.2 ttt180 -117.85 94.02 45.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.2 Cg_exo -45.39 87.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 514' ' ' ARG . 64.4 t-105 -36.25 141.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -102.92 111.4 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 46.4 tp -112.84 136.93 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 520' ' ' ASP . 77.7 p -121.14 -45.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 519' ' ' SER . 36.3 m-20 -35.35 -51.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.7 m -67.57 127.45 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -174.81 139.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.09 134.25 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.4 124.79 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtp -140.08 170.87 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 526' ' ' ASP . 0.2 OUTLIER -98.03 -51.83 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 91.8 p -142.93 158.05 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 129.96 143.28 5.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -79.31 165.29 23.55 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 55.7 p -83.54 43.92 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 86.6 p -44.29 146.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 67.8 m -96.42 97.01 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.3 t -96.07 97.15 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 48.72 -126.62 17.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 68.9 m -139.0 122.83 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 425' ' ' GLY . 1.8 t -125.46 107.61 10.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 424' ' ' SER . . . 34.55 -127.62 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.2 t -143.83 177.32 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.46 ' NE ' ' HG3' ' A' ' 480' ' ' GLU . 8.8 mtt85 -79.51 -32.75 42.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -59.32 137.84 57.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 53.8 t -126.17 138.18 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -98.34 111.3 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 49.1 t -108.64 119.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.09 154.74 16.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 79.78 43.16 10.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.98 142.6 41.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -47.93 144.98 10.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.707 2.272 . . . . 0.0 112.403 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.97 0.69 9.83 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -134.02 36.63 3.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 17.3 tt -115.65 135.49 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.97 172.89 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 441' ' ' ASP . 19.7 tt0 -52.92 -70.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.7 m-20 -35.81 -54.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.99 -57.4 3.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.0 mt -49.29 -44.03 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 26.6 m -55.89 -55.14 36.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.62 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 58.1 m -57.81 -32.16 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -121.9 35.23 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 451' ' ' GLY . 13.8 tpt180 -98.87 -43.6 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 3.4 ptp180 -39.0 -44.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.513 ' CE2' HD11 ' A' ' 486' ' ' LEU . 92.5 m-85 -60.73 -41.34 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.95 -170.6 40.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.14 120.93 5.89 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -139.52 -177.71 5.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.4 p -140.74 134.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 19.2 t -89.53 113.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -128.45 103.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.547 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 7.8 p90 -99.43 155.81 36.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.98 155.55 52.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.228 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 64.45 31.99 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.492 ' HD3' ' CE2' ' A' ' 457' ' ' TRP . 30.6 tptt -79.2 -47.69 15.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -44.26 -64.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.34 -47.36 81.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 18.2 t -69.46 81.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -29.67 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 36.8 m -63.36 139.49 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -81.97 42.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.58 116.32 22.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.42 169.18 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.547 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 61.7 Cg_endo -77.05 179.9 6.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.5 mptp? -33.84 -55.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.26 72.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.428 ' O ' ' CD1' ' A' ' 472' ' ' TYR . 15.7 p90 -174.75 121.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.97 172.13 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.4 128.42 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 33.1 mt -103.62 126.45 50.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 57.7 mt -109.0 84.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -58.94 126.56 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -44.83 -63.24 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -98.95 161.61 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.46 ' HG3' ' NE ' ' A' ' 427' ' ' ARG . 30.2 mt-10 -76.48 -45.77 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 480' ' ' GLU . 2.4 m -35.23 -53.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 24.9 p -44.04 -48.72 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.8 t -42.57 -48.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.1 -53.18 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -53.26 -39.2 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 450' ' ' PHE . 14.4 tp -63.1 -54.74 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 47.9 mt -51.24 -57.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -46.25 -38.82 9.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.87 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 79.2 m -66.82 113.05 4.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.13 -177.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -145.15 142.28 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -121.35 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -126.65 70.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.41 -29.5 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -99.08 156.98 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 16.7 mt -95.59 172.88 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.7 m-85 -160.9 119.17 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 26.8 tp -109.71 142.9 40.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 60.7 m -95.43 126.0 40.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 34.2 m -120.97 120.55 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 508' ' ' ASP . 61.2 p -97.62 125.84 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 18.5 p -122.65 144.23 41.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -19.78 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 29.9 p -103.94 -57.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.1 143.99 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -72.35 171.07 12.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.416 ' CG ' ' HB3' ' A' ' 502' ' ' SER . 6.0 m-20 -43.07 101.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -100.02 132.61 22.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.18 84.92 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.86 142.04 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -80.36 114.43 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 43.0 mm -101.01 107.0 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -123.02 93.9 47.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 90.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -52.31 122.43 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -121.85 176.66 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -96.74 -29.47 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.1 t -174.76 162.56 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -132.15 -50.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 88.3 p -70.28 129.49 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -174.71 141.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -106.88 142.67 36.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.7 151.69 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 30.6 mtm -77.3 84.01 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.35 -49.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.3 p -45.41 135.24 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 179.07 168.71 38.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.94 149.78 29.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.296 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.9 t -153.35 169.96 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 52.5 m -124.94 -54.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.538 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 56.3 p -139.62 125.88 20.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.6 t -163.35 160.88 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 69.14 93.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 20.0 m -112.19 162.78 15.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 29.7 t -145.74 140.57 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -120.4 -126.26 3.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m -88.76 140.39 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.892 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 427' ' ' ARG . 29.3 mtm105 -45.61 -30.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.489 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 18.3 tttp -57.15 137.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.25 130.71 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -86.98 138.09 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 12.2 t -134.54 122.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -131.81 116.95 1.98 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 129.5 20.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.08 143.7 84.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.09 150.71 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.748 2.299 . . . . 0.0 112.304 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -78.81 -1.49 11.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.34 39.29 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 15.2 tt -111.44 133.69 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -91.75 -174.99 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 441' ' ' ASP . 41.4 tt0 -62.78 -66.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 444' ' ' THR . 0.3 OUTLIER -37.97 -65.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 441' ' ' ASP . 25.4 mt-10 -35.1 -56.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 73.9 mt -48.08 -43.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 441' ' ' ASP . 4.0 m -62.36 -56.88 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.2 -39.27 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 13.3 m -62.38 -27.65 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -121.52 31.31 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 448' ' ' ARG . 3.7 mmm180 -93.08 -45.24 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -39.16 -46.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 74.8 m-85 -60.76 -42.47 97.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 166.11 -174.73 41.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.46 118.23 4.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -135.03 176.8 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.1 p -134.05 134.17 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.4 t -90.36 141.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.1 114.0 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.516 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.2 p90 -100.04 159.64 29.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.79 -65.23 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -87.56 66.18 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.414 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 36.0 tttm -108.71 -49.24 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.31 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' SER . 1.1 mp0 -65.19 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' GLU . 89.6 p -34.62 150.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.44 -59.36 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 87.9 p -53.87 163.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.22 36.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -116.76 92.99 39.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.99 167.78 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.516 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.85 176.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -41.87 -55.77 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.2 70.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 36.0 p90 -174.65 132.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -154.87 179.06 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.489 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 51.5 m-85 -122.36 147.61 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 56.8 mt -122.18 130.64 53.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 41.2 mt -114.18 87.51 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.81 127.8 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -41.8 -61.01 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.38 161.14 13.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.45 -44.39 35.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -39.79 -51.78 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 12.0 p -46.7 -51.8 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.28 -48.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -57.77 -60.09 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.22 -37.15 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 20.8 tp -67.4 -59.32 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 87.7 mt -42.22 -53.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.78 -40.06 72.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.67 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.29 117.05 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.21 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.99 140.79 29.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -122.72 -74.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.33 70.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.56 -26.09 4.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 514' ' ' ARG . 41.4 mttt -102.65 157.61 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 14.2 mt -99.32 164.01 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -155.48 116.49 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.404 ' O ' ' CG2' ' A' ' 511' ' ' VAL . 16.0 tp -105.97 128.08 53.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 3.9 m -80.75 121.86 26.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.59 122.72 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 41.6 p -91.48 155.09 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 506' ' ' ILE . 14.8 m -147.62 156.09 45.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -45.02 -40.57 15.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 30.7 p -96.68 -54.29 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 503' ' ' SER . 49.1 mm -91.13 145.47 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.13 173.68 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.0 p-10 -34.3 110.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -125.92 109.58 24.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.58 129.4 23.32 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 499' ' ' LEU . 2.5 m -119.33 134.48 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -65.56 101.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.1 mm -97.96 111.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 516' ' ' TRP . 26.0 mmm180 -126.29 93.14 43.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 72.5 Cg_exo -47.12 84.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.486 ' N ' ' O ' ' A' ' 514' ' ' ARG . 70.8 t-105 -34.67 102.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -99.47 114.5 27.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.7 tp -142.94 152.98 42.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.8 t -114.93 117.0 29.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.32 -44.26 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 3.8 t -80.42 174.95 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.05 131.2 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -41.31 144.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 93.9 t -116.23 126.41 73.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 3.1 ttt -83.95 90.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -127.11 158.54 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.6 m -60.19 154.23 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -105.17 97.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.83 99.22 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 88.3 p -50.38 154.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 31.2 t -48.46 125.19 9.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.445 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.4 t 63.66 42.7 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.7 m -130.4 129.72 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 164.81 179.02 38.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 92.4 p -119.32 98.83 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 52.8 m -123.42 90.46 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 101.66 84.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m -43.3 160.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -83.73 -12.34 55.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.492 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 14.3 tptm -78.4 109.71 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 74.3 t -113.93 128.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -91.4 137.33 32.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 5.5 t -128.45 131.28 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -128.56 149.71 18.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.62 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.76 143.57 90.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.704 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.34 147.67 5.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.05 0.79 9.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -132.71 34.7 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 442' ' ' GLU . 21.2 tt -112.28 128.86 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.68 173.14 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.0 tt0 -46.16 -69.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.2 t0 -34.22 -64.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.463 ' CB ' HG13 ' A' ' 438' ' ' ILE . 5.5 mm-40 -35.67 -59.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.06 -47.4 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 448' ' ' ARG . 6.7 m -55.15 -59.57 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.22 -26.51 60.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 62.5 m -73.1 -27.3 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.0 13.46 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 444' ' ' THR . 15.5 tpt180 -80.3 -31.58 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -55.1 -14.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.552 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.5 m-85 -93.93 -24.61 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 142.97 159.56 8.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.76 118.22 2.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.89 -178.07 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 6.3 p -141.75 142.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.7 t -99.71 141.37 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.7 112.6 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 2.3 p90 -100.18 159.02 30.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.54 -65.31 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' A' ' 459' ' ' HIS . 23.2 p80 -97.76 83.69 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 457' ' ' TRP . 6.9 ptmt -118.9 -38.78 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -84.82 -47.86 9.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.34 -47.81 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.6 m -54.29 162.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 23.65 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 16.7 m -142.39 157.76 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 467' ' ' PHE . 2.3 p90 -81.22 -52.48 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 466' ' ' TYR . 19.7 m-85 -33.29 96.38 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.66 0.743 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 466' ' ' TYR . 71.3 Cg_exo -45.42 171.0 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 72.0 Cg_exo -45.82 177.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -48.28 -49.0 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -177.59 57.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.8 p90 -164.85 124.56 1.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.38 170.18 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.492 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 27.8 m-85 -118.05 146.37 44.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 38.5 mt -117.5 143.85 45.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 35.2 mt -128.87 87.87 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 482' ' ' SER . 88.0 m-85 -63.96 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -63.26 -51.16 67.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 480' ' ' GLU . 17.9 mt-10 -103.58 114.37 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 479' ' ' GLU . 19.3 mt-10 -36.95 -40.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 4.7 t -44.35 -53.57 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.52 ' HB3' ' CD1' ' A' ' 477' ' ' PHE . 3.9 m -38.05 -51.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.7 t -41.26 -55.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -50.76 -59.99 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.73 -37.99 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.552 HD12 ' CE2' ' A' ' 450' ' ' PHE . 13.0 tp -65.32 -62.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 90.9 mt -39.92 -51.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.88 -47.87 67.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.48 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 39.8 m -50.04 116.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 498' ' ' TYR . 18.3 mt -54.16 172.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.09 124.13 44.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -133.55 86.7 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.52 43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.49 -38.8 3.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -68.91 163.64 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 82.1 mt -116.5 145.13 43.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 491' ' ' LEU . 96.9 m-85 -148.45 128.72 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 32.6 tp -111.62 135.58 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 4.6 p -81.58 118.52 22.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.01 105.42 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 42.5 p -96.61 129.38 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 67.0 m -109.21 155.66 40.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.73 -21.49 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 6.7 p -109.1 -54.88 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 507' ' ' LYS . 22.9 mm -89.69 141.1 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -77.09 165.23 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 1.8 m-20 -33.73 111.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -124.68 106.24 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.08 134.3 59.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.31 137.48 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.41 114.25 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 46.1 mm -105.65 97.03 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -109.25 95.22 17.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.93 90.75 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -43.16 149.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 50.39 53.22 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.3 tp -88.85 107.16 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 22.0 t -70.04 169.81 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.57 172.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 33.4 t -171.0 139.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -166.48 137.99 3.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -147.16 176.62 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 13.2 p -147.79 130.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.5 ptp -103.13 146.82 27.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -113.08 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 48.9 p -125.19 -42.27 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 65.05 -146.36 50.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.54 145.42 26.35 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 64.1 p -134.73 176.2 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.0 m -159.15 123.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 11.0 m -113.85 106.87 14.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.8 t -166.17 169.07 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -69.96 -54.13 12.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 22.9 t 54.37 41.46 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.814 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 25.6 p 38.84 44.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -59.37 -171.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t -47.71 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -73.99 -40.19 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.452 ' HE3' ' CG ' ' A' ' 474' ' ' PHE . 19.6 tttp -49.49 144.45 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.73 131.59 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -89.47 129.46 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . 0.411 HG21 ' CD1' ' A' ' 513' ' ' ILE . 13.1 t -125.97 121.2 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -125.42 119.71 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 125.17 27.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.63 142.37 66.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.44 151.14 3.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.18 -1.13 11.32 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -134.99 40.02 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 20.1 tt -111.83 137.53 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -102.09 171.14 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 441' ' ' ASP . 67.1 tt0 -47.85 -69.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 440' ' ' GLU . 14.0 t0 -35.44 -59.84 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.71 -58.58 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.1 mt -48.42 -39.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.5 m -60.8 -55.34 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.37 -42.87 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.9 m -57.12 -32.56 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.99 31.36 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -96.56 -40.02 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 449' ' ' ARG . 4.3 ptm85 -45.26 -34.32 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.2 m-85 -70.98 -42.32 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 167.31 -171.49 42.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.51 110.18 3.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -128.04 -177.42 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -142.91 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.2 t -92.54 132.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -146.68 112.86 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.514 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 1.4 p90 -100.63 158.88 31.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.13 -66.1 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.25 90.45 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -119.06 -41.58 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -82.78 -42.51 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.08 -48.43 76.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 66.3 m -63.94 137.98 58.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -93.25 42.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 5.4 m -155.42 148.53 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -90.07 36.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -115.34 94.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.709 0.766 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.34 166.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.514 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.1 Cg_exo -45.08 170.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -47.68 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -178.45 64.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 26.7 p90 -174.22 133.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.38 178.08 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.452 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 87.7 m-85 -121.95 127.09 49.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.25 144.27 28.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 46.1 mt -130.45 96.14 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -73.84 131.36 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.88 -56.03 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.1 mt-10 -90.34 113.67 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 481' ' ' SER . 35.2 mt-10 -37.71 -47.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 482' ' ' SER . 14.9 m -36.18 -58.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 481' ' ' SER . 19.7 m -34.53 -50.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.0 t -43.24 -58.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -54.37 -60.77 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.38 -39.02 9.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.552 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.7 tp -64.79 -57.21 9.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 54.0 mt -48.35 -59.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.56 -43.36 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.48 80.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.42 115.93 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.7 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -143.88 138.89 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -117.52 -73.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -126.85 69.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.36 -27.4 3.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.44 155.46 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.5 169.13 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.95 116.19 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 18.8 tp -111.32 137.24 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 29.9 p -84.62 132.47 34.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 23.9 m -130.74 114.52 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 81.5 p -87.21 130.15 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 t -120.95 147.34 46.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.48 -22.93 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -112.03 -53.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.27 143.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.27 172.7 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.05 108.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -106.05 129.65 24.23 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -77.94 84.41 2.0 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 24.8 m -78.51 140.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.75 111.92 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.411 ' CD1' HG21 ' A' ' 431' ' ' VAL . 19.0 mm -100.56 114.8 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -120.23 90.48 44.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.7 108.35 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -48.77 118.28 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -115.9 77.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 7.2 tp -155.99 118.57 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.1 t -126.41 152.21 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.32 -47.86 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 42.4 t -46.71 146.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -114.93 101.44 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -41.51 124.94 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.17 137.59 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -59.75 133.89 56.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.1 -45.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 82.4 p -171.6 108.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -110.07 95.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.71 168.45 24.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.274 . . . . 0.0 112.331 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.1 t -172.82 147.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 88.0 p -100.84 147.64 25.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 15.6 t -131.67 113.2 13.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 66.7 p -129.57 106.57 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -128.03 -87.01 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 61.3 m -120.77 148.28 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 46.7 t -48.68 157.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -93.48 -151.69 28.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m -83.83 178.86 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -77.87 -52.67 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.442 ' CG ' ' CD2' ' A' ' 476' ' ' LEU . 67.4 mttt -45.32 142.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 48.5 t -137.25 117.48 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -80.48 109.38 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.07 126.28 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.42 130.86 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 118.65 12.54 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.56 143.94 98.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.25 147.05 6.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.81 0.97 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.757 2.305 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -131.86 33.11 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 19.0 tt -110.17 151.24 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.93 178.98 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.3 tt0 -52.94 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 440' ' ' GLU . 20.4 t70 -34.13 -65.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 441' ' ' ASP . 13.3 mt-10 -35.17 -54.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.23 -60.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 448' ' ' ARG . 83.8 m -45.51 -45.87 13.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.14 -39.39 82.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.1 m -65.16 -24.59 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 499' ' ' LEU . 47.5 m-85 -122.06 19.83 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 444' ' ' THR . 7.0 tpt180 -86.89 -31.59 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.545 ' HD2' ' CD1' ' A' ' 450' ' ' PHE . 0.1 OUTLIER -48.56 -33.9 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.545 ' CD1' ' HD2' ' A' ' 449' ' ' ARG . 84.8 m-85 -73.86 -31.66 63.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 153.35 -168.65 32.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.37 125.25 8.96 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.84 174.39 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 12.8 p -137.06 129.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.1 t -91.31 149.14 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -155.58 112.26 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 3.5 p90 -99.22 158.34 32.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.539 0.685 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.8 -53.6 4.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.79 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.581 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 11.1 tmtt? -125.2 -54.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.38 94.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.11 -47.51 15.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 5.5 m -82.06 122.33 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 464' ' ' LYS . 2.2 mppt? -76.18 -41.37 49.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 464' ' ' LYS . 6.6 t -36.88 133.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.401 ' CE2' ' HE1' ' A' ' 467' ' ' PHE . 25.1 p90 -89.24 44.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . 0.401 ' HE1' ' CE2' ' A' ' 466' ' ' TYR . 9.4 m-85 -133.19 95.77 18.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.31 161.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 76.7 Cg_exo -49.3 178.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -39.34 -66.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.48 66.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -171.43 130.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -152.34 172.99 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -118.1 119.59 35.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 21.2 mt -93.83 142.51 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.442 ' CD2' ' CG ' ' A' ' 428' ' ' LYS . 23.6 mt -126.45 97.97 5.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.98 126.41 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -49.23 -61.07 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.33 123.19 38.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -44.88 -46.71 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.0 p -39.01 -45.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.1 t -45.83 -51.88 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.96 -50.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -54.08 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -42.95 -45.56 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.14 -59.2 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.6 mt -46.72 -52.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -51.93 -44.91 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.22 73.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.22 136.03 56.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.36 163.51 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.76 119.67 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -131.53 87.28 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.9 t70 69.45 43.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 88.52 -38.8 3.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -73.49 139.18 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 55.2 mt -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -146.02 128.99 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 447' ' ' PHE . 18.9 tp -115.81 150.16 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.2 p -97.82 131.53 44.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 27.6 m -139.45 106.48 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.1 t -87.93 146.72 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.2 m -127.59 159.23 67.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.27 -21.5 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.7 p -114.16 -63.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 17.8 mm -78.21 150.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 508' ' ' ASP . 34.6 mmtt -86.12 172.1 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.2 p-10 -38.19 104.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 126.84 33.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.17 74.99 5.08 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.0 m -61.54 152.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -88.45 103.44 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.5 mm -89.11 111.45 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -122.69 92.99 48.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.06 141.53 9.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 35.3 t-105 -63.11 138.53 58.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.72 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 6.8 tp -112.12 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.8 t -112.96 141.36 46.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.06 40.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 90.6 p -150.54 152.11 33.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.05 22.26 12.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -47.27 147.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 5.8 p -165.42 133.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.5 ptm -130.77 62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 527' ' ' SER . 16.2 t0 -124.27 135.71 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 526' ' ' ASP . 3.8 m -34.51 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 170.7 139.68 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.54 151.55 3.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.4 m -151.97 157.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 83.0 p -156.71 152.68 27.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 73.2 m -133.61 150.18 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -153.82 162.15 41.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -68.71 123.6 16.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 14.5 m -125.92 -51.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 72.0 m -136.39 113.91 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 426' ' ' SER . . . -142.45 115.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 425' ' ' GLY . 40.6 p -36.51 134.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.816 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -91.73 -46.16 8.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.554 ' HD2' ' CD1' ' A' ' 516' ' ' TRP . 3.1 ttmp? -65.18 131.81 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.75 132.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.99 105.28 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.2 121.22 56.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.71 150.15 18.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 87.5 37.07 8.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.7 142.05 45.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.8 141.68 15.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.99 3.8 7.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -132.96 30.81 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 442' ' ' GLU . 20.0 tt -110.53 138.61 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 440' ' ' GLU . 6.8 t70 -100.83 169.48 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 439' ' ' ASP . 38.0 tt0 -48.13 -70.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 440' ' ' GLU . 40.2 t0 -34.25 -52.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.414 ' CB ' HG13 ' A' ' 438' ' ' ILE . 22.1 mm-40 -49.14 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 63.6 mt -42.25 -48.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 2.5 m -54.1 -57.64 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.45 -38.3 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.4 m -61.24 -28.42 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -121.56 28.82 7.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 448' ' ' ARG . 1.3 mmm180 -91.02 -30.07 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -63.37 -10.32 16.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 486' ' ' LEU . 69.4 m-85 -96.28 -30.31 13.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 151.61 -171.85 31.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 124.53 8.18 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.96 179.52 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.2 p -141.54 138.45 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.407 ' N ' HG23 ' A' ' 454' ' ' VAL . 12.1 t -91.81 139.52 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -155.21 108.05 2.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.9 p90 -100.15 156.93 34.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.8 -0.29 6.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -123.47 36.35 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -86.91 -64.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.29 -56.5 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -49.24 -57.24 7.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 42.4 t -84.0 98.52 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -41.07 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 67.6 m -55.23 160.34 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -89.35 30.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -103.08 142.16 23.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.15 169.28 19.32 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 472' ' ' TYR . 58.3 Cg_endo -71.51 -179.17 3.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 36.5 mtmt -33.73 -60.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -176.13 72.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 469' ' ' PRO . 5.8 p90 -174.97 130.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -148.65 163.39 37.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -114.65 123.89 50.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 31.2 mt -103.89 115.34 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.414 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 86.7 mt -96.53 95.32 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -73.98 115.72 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -50.19 -49.08 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 115.44 28.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.28 -42.03 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 482' ' ' SER . 8.3 t -55.34 -52.58 63.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 481' ' ' SER . 3.7 t -36.26 -42.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.82 -61.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -40.98 -49.14 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.92 -47.13 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 450' ' ' PHE . 12.7 tp -52.29 -58.37 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 82.9 mt -44.97 -45.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.94 -50.48 61.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.39 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 71.5 m -48.28 120.56 3.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.64 161.81 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.97 121.66 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -134.33 97.05 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.64 40.4 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.46 -38.55 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -67.83 168.12 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 97.9 mt -120.85 154.06 36.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 512' ' ' GLN . 96.5 m-85 -154.31 136.55 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.0 tp -119.95 138.4 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.11 129.93 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 27.9 m -136.83 112.0 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.56 137.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 23.6 p -116.51 155.34 48.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 -20.29 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -111.12 -58.06 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 40.1 mm -82.79 154.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 9.5 mmtm -90.56 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 13.2 m-20 -34.21 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -109.4 113.89 57.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.1 93.5 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.69 161.94 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' A' ' 498' ' ' TYR . 47.1 tt0 -97.94 99.23 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 29.1 mm -81.95 123.4 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -130.18 90.37 42.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 517' ' ' ASN . 74.0 Cg_exo -48.19 92.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.554 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 48.9 t-105 -44.15 92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 515' ' ' PRO . 0.9 OUTLIER -92.85 121.82 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.2 pp -98.35 -14.05 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.4 m -153.02 123.63 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -84.82 40.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 92.7 p -57.94 177.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -164.88 130.72 2.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.0 145.14 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 13.1 p -146.36 137.82 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.2 ttp -122.76 124.56 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -96.34 121.47 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 m -150.21 130.14 13.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -83.46 -162.56 33.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.0 131.36 11.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 71.0 m -146.78 171.07 15.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 532' ' ' GLY . 57.2 p -125.59 115.21 19.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.869 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 531' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 40.8 t -90.82 -51.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 89.9 p -56.63 -43.31 80.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 141.61 92.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.8 m -125.84 82.06 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -67.53 171.75 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -157.24 161.86 31.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 30.3 m -45.72 164.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.402 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 49.5 mtm180 -82.44 -62.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 516' ' ' TRP . 13.3 ttpt -41.95 124.86 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 513' ' ' ILE . 66.5 t -116.4 141.14 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -101.42 106.83 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 513' ' ' ILE . 18.3 t -106.4 117.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.91 128.88 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.79 35.0 1.93 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.6 mt -82.53 142.22 46.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -46.59 148.47 3.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.56 -0.41 10.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -132.75 36.6 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 468' ' ' PRO . 18.5 tt -110.82 139.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -104.39 -178.14 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 441' ' ' ASP . 13.7 tt0 -55.56 -68.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.3 m-20 -36.38 -64.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 441' ' ' ASP . 15.8 mt-10 -35.91 -62.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -45.38 -46.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 448' ' ' ARG . 7.1 m -53.58 -60.51 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.82 -39.78 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -32.26 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -122.31 27.03 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 444' ' ' THR . 12.0 tpt180 -91.44 -44.85 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -39.9 -49.57 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.429 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.3 m-85 -53.89 -40.34 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 158.6 156.32 7.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.79 122.78 4.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.57 -175.69 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -140.28 132.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.6 t -88.22 129.26 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -146.04 108.18 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.53 ' CZ2' ' HD3' ' A' ' 460' ' ' LYS . 4.2 p90 -100.14 156.62 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.509 0.671 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.94 -23.41 22.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . 0.458 ' CE1' ' OH ' ' A' ' 472' ' ' TYR . 12.0 m170 -98.1 50.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.53 ' HD3' ' CZ2' ' A' ' 457' ' ' TRP . 27.4 tptt -104.58 -54.26 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -54.36 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -43.34 -60.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.8 t -67.8 116.44 8.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 68.41 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.8 t -167.69 160.31 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -87.66 40.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -122.19 141.57 34.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.482 ' CG ' ' O ' ' A' ' 438' ' ' ILE . 62.6 Cg_endo -79.65 169.36 18.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 58.6 Cg_endo -71.92 179.66 4.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.748 2.299 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 13.0 mptt -33.87 -65.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -169.06 72.18 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 37.4 p90 -174.58 121.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -145.23 169.52 18.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.78 121.16 41.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 23.5 mt -99.71 121.89 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 31.2 mt -103.12 90.39 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 478' ' ' GLN . 69.9 m-85 -67.62 98.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 477' ' ' PHE . 16.2 tt0 -35.19 -56.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.17 108.29 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.12 -43.86 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 11.4 t -38.94 -53.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.3 m -44.06 -53.34 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 72.3 t -38.27 -59.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -48.18 -63.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.54 -49.2 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.429 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 25.2 tp -53.8 -57.79 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 69.8 mt -48.32 -55.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -46.1 -44.66 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.35 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.19 104.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.3 162.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -126.9 140.07 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -117.13 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.97 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 85.14 -26.26 5.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -101.62 155.25 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 14.2 mt -101.25 174.95 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 89.8 m-85 -160.17 125.31 3.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 18.9 tp -115.51 147.58 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.3 p -96.49 131.8 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 20.9 m -138.86 121.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.6 t -101.72 139.66 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.3 p -129.44 164.17 41.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -23.37 6.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.1 p -113.09 -69.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.9 146.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.3 mmtm -88.62 169.02 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.9 m-20 -34.4 108.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -106.87 132.32 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.9 61.88 8.25 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.89 141.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.59 119.05 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 429' ' ' VAL . 26.3 mm -105.0 107.58 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 516' ' ' TRP . 37.6 ttp180 -120.33 94.45 48.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.76 90.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.48 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 58.0 t-105 -49.16 108.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -115.75 106.41 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 16.5 mt -54.1 -45.53 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 6.3 t -138.92 147.41 42.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.72 46.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 29.1 p -84.86 41.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.72 21.62 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -88.56 141.99 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 89.9 t -135.56 126.25 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 30.1 ttp -120.56 156.78 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.95 154.98 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 46.6 p -152.32 134.26 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 72.04 174.45 22.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.55 112.93 0.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 88.0 p -84.38 -49.35 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 25.1 t 47.46 42.15 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.7 t -88.46 122.5 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.899 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 84.2 p -121.6 109.2 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -99.36 137.44 13.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 36.5 p -50.17 -52.58 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.5 m -51.17 -44.29 61.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -97.35 95.42 1.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m -103.85 164.74 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' ARG . . . . . 0.418 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 36.5 mtp180 -45.34 -38.62 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.445 ' HD3' ' CD2' ' A' ' 476' ' ' LEU . 2.3 tppp? -56.92 131.24 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 430' ' ' PHE . 62.5 t -132.99 138.48 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.435 ' N ' HG12 ' A' ' 429' ' ' VAL . 32.4 t80 -102.66 125.86 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 48.2 t -121.53 123.68 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -120.52 155.32 16.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 82.37 42.08 8.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.4 mt -85.8 142.64 36.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 506' ' ' ILE . 74.5 Cg_exo -47.08 147.21 5.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.08 -0.57 10.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.83 39.32 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . 0.47 HG13 ' CB ' ' A' ' 442' ' ' GLU . 13.5 tt -116.06 128.78 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 442' ' ' GLU . 1.8 p-10 -93.15 177.75 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 441' ' ' ASP . 48.0 tt0 -54.31 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.3 t0 -34.01 -52.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.47 ' CB ' HG13 ' A' ' 438' ' ' ILE . 6.8 mm-40 -47.28 -58.3 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.4 mt -47.63 -51.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 10.8 m -47.55 -60.3 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -47.82 -42.6 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 5.1 t -55.82 -37.4 68.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -120.0 33.56 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -93.4 -45.48 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 6.7 ptp180 -38.53 -45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 79.9 m-85 -58.01 -42.83 86.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.78 -166.38 36.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.81 126.97 9.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -147.72 -179.81 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.402 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.4 p -137.52 140.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.86 133.05 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -151.54 112.13 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.482 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.16 144.59 28.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.92 131.8 13.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 62.33 41.54 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' LYS . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 26.7 tttp -74.7 -52.91 10.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -48.25 -59.93 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 463' ' ' SER . 6.0 mm-40 -53.09 -53.5 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 462' ' ' GLU . 2.3 m -36.03 118.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -88.04 42.24 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 20.9 m -164.25 164.09 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -101.25 42.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -131.68 95.61 22.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -44.48 170.13 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.3 Cg_exo -46.69 178.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.52 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.16 67.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 41.1 p90 -171.24 130.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 110.938 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -149.17 170.94 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.98 128.59 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 20.3 mt -103.29 146.65 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' LEU . . . . . 0.445 ' CD2' ' HD3' ' A' ' 428' ' ' LYS . 34.1 mt -128.07 100.49 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -80.46 131.17 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -69.0 -55.77 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 480' ' ' GLU . 24.8 mt-10 -79.12 99.91 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 479' ' ' GLU . 35.8 mt-10 -35.31 -43.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 482' ' ' SER . 24.5 t -48.27 -57.7 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 481' ' ' SER . 8.5 t -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . 0.418 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 84.0 t -44.83 -56.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -53.32 -53.48 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.41 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . 0.566 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 18.5 tp -52.0 -54.76 25.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 67.1 mt -47.43 -51.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.46 -45.87 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.06 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 42.2 m -58.18 163.37 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 32.7 mt -115.88 139.21 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.86 130.32 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -110.06 -71.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -122.6 50.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.69 18.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.09 153.18 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 19.2 mt -94.17 171.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' TYR . . . . . 0.481 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 44.5 m-85 -159.66 126.42 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 23.5 tp -121.51 130.41 53.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 88.8 m -77.72 136.86 38.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.3 111.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 68.5 m -87.49 125.99 34.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.8 m -119.93 155.01 55.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -21.0 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 46.9 p -120.9 -55.6 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 509' ' ' LYS . 37.9 mm -88.39 102.59 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.5 mmtp -52.12 173.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 507' ' ' LYS . 20.7 p-10 -34.56 107.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' LYS . . . . . 0.476 ' HD2' ' CG2' ' A' ' 506' ' ' ILE . 0.2 OUTLIER -115.61 126.04 28.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.97 93.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 15.8 m -83.86 141.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -74.8 111.65 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.0 mm -99.77 104.32 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -117.71 94.01 44.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.63 90.44 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -74.94 151.39 38.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -118.52 97.11 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.24 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 41.6 t -125.69 129.37 49.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -64.65 162.51 15.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 7.3 t -119.27 162.73 18.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.03 130.21 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -93.04 152.14 19.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 97.5 t -107.2 120.23 58.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.94 98.93 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.91 90.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.5 m 41.22 41.7 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 112.43 140.11 7.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 109.49 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 15.5 m -82.59 147.8 28.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 75.1 m -116.74 174.25 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 428' ' ' LYS . 43.9 mtt180 -70.41 -34.33 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.529 ' HE2' ' CG ' ' A' ' 516' ' ' TRP . 6.1 ttpm? -37.52 148.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 513' ' ' ILE . 30.2 t -139.31 128.15 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -86.98 126.97 35.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 475' ' ' LEU . 3.3 t -121.68 129.53 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.74 116.61 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 132.09 4.38 3.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 56.8 mt -50.32 143.19 13.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.635 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.1 Cg_exo -47.33 150.3 3.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.95 -2.75 12.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -133.73 39.7 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.3 tt -112.4 159.9 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 438' ' ' ILE . 2.7 p30 -122.33 -176.98 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 441' ' ' ASP . 59.0 tt0 -58.39 -73.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.0 t0 -35.74 -60.38 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.31 -53.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.19 -41.54 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 31.9 m -59.02 -59.74 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.31 -40.92 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m -59.37 -27.49 66.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.495 ' HB2' HD11 ' A' ' 453' ' ' LEU . 79.1 m-85 -121.25 17.74 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -79.04 -45.23 20.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -39.96 -50.65 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 65.1 m-85 -54.84 -39.11 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 153.79 161.92 10.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.58 124.48 6.76 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -145.84 177.06 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -138.77 138.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 7.8 t -97.18 134.62 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -157.57 113.12 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CZ2' ' HG2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.55 157.27 34.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.526 0.679 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -24.13 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -119.11 55.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 6.2 tmtt? -110.33 -45.52 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -86.04 -62.29 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -43.92 -50.07 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 71.2 m -97.55 -175.37 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 465' ' ' SER . 32.0 mtmm -114.95 -50.58 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 464' ' ' LYS . 5.0 m -36.43 130.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -98.69 41.79 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -123.82 90.72 50.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.54 103.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.585 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -43.5 146.37 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm 41.08 26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 50.47 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 3.9 p90 -175.23 141.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 457' ' ' TRP . . . -163.02 175.36 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.16 136.59 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 431' ' ' VAL . 7.8 mt -109.61 128.62 55.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 15.6 mt -115.29 90.88 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.425 ' CZ ' HD13 ' A' ' 453' ' ' LEU . 64.8 m-85 -68.28 132.73 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -48.41 -48.77 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -107.46 152.7 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.63 -41.72 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.6 m -40.75 -59.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.2 p -38.88 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.6 t -44.55 -55.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -49.83 -53.57 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.95 -41.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.3 tp -57.02 -57.26 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.475 HG23 HD11 ' A' ' 497' ' ' LEU . 57.3 mt -45.53 -52.45 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -48.35 -49.43 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.09 84.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.14 122.62 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.75 161.48 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.38 117.79 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -129.26 88.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.46 45.66 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 89.12 -41.06 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -68.74 145.31 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 487' ' ' ILE . 60.7 mt -106.38 149.22 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -147.75 132.79 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 21.9 tp -116.49 158.89 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 78.7 m -103.25 131.26 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 501' ' ' VAL . 6.5 m -131.5 107.46 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 87.3 p -79.3 141.76 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 24.7 m -129.98 150.7 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.62 -26.5 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.1 p -109.89 -64.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.6 mm -78.19 145.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.4 mmtp -80.33 168.21 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.7 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -95.63 133.64 25.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.3 Cg_endo -79.88 80.17 3.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.7 m -69.69 151.62 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -87.6 103.21 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.471 HG23 ' CG1' ' A' ' 429' ' ' VAL . 23.0 mm -96.64 107.75 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -123.35 93.49 47.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.7 Cg_exo -46.44 101.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.529 ' CG ' ' HE2' ' A' ' 428' ' ' LYS . 72.4 t-105 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -98.57 0.59 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.533 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 17.4 tttt -96.31 126.93 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.81 126.48 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -84.88 134.46 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 475' ' ' LEU . 22.6 t -126.87 124.27 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -121.59 161.67 15.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.73 25.29 56.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.97 146.74 87.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.598 ' O ' HG22 ' A' ' 438' ' ' ILE . 61.0 Cg_endo -75.02 146.94 33.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -79.37 11.66 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' ASP . . . . . 0.45 ' CB ' ' OG1' ' A' ' 505' ' ' THR . 3.9 m-20 -125.35 33.71 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.4 tt -127.4 147.37 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -114.4 -177.16 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 25.7 tt0 -52.73 -71.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 21.9 t70 -35.5 -66.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.463 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.3 mt-10 -35.26 -67.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 79.8 mt -42.49 -45.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 448' ' ' ARG . 16.3 m -58.3 -57.22 13.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.9 -29.32 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 47.9 t -69.59 -25.04 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.463 ' O ' HD22 ' A' ' 453' ' ' LEU . 36.6 m-85 -126.38 29.55 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.519 ' HG2' HG22 ' A' ' 444' ' ' THR . 9.1 mmm180 -89.86 -43.74 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -43.1 -30.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.3 m-85 -75.08 -44.43 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 160.82 159.88 10.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.22 124.99 6.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.59 -177.09 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 476' ' ' LEU . 8.1 p -146.28 138.38 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.3 143.1 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -159.62 109.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 14.2 p90 -99.98 148.05 34.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.68 140.81 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.618 2.212 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 58.6 50.13 9.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -96.63 -24.49 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.45 67.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.37 29.81 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 40.0 t -114.02 155.75 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -117.76 -52.07 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 77.6 p -58.14 153.71 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -92.29 40.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.28 142.67 46.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.76 166.56 23.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.578 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 74.8 Cg_exo -48.39 178.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.0 OUTLIER -37.03 -63.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.12 71.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 28.6 p90 -174.83 137.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -156.0 160.98 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 42.1 m-85 -112.99 127.96 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 431' ' ' VAL . 35.8 mt -101.94 138.84 38.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.498 ' HB2' HG13 ' A' ' 454' ' ' VAL . 38.7 mt -120.28 82.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' HD22 ' A' ' 486' ' ' LEU . 52.5 m-85 -58.14 120.17 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -45.6 -52.52 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -101.44 137.22 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.6 -45.4 94.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' SER . 46.2 m -47.03 -53.37 12.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' SER . 12.8 t -37.49 -43.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.32 -56.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -44.96 -42.35 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.18 92.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' A' ' 450' ' ' PHE . 27.0 tp -55.77 -53.63 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 60.3 mt -49.13 -36.32 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.99 -37.26 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 57.8 m -71.06 116.25 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 48.2 mt -55.01 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -154.27 141.85 19.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.19 -72.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -126.57 69.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 80.66 -19.18 7.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -103.13 148.26 25.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 54.7 mt -97.27 166.48 11.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 91.3 m-85 -159.1 141.97 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 24.1 tp -126.22 147.94 49.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.82 136.34 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 501' ' ' VAL . 26.7 m -138.44 124.71 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.0 p -94.46 146.82 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.6 t -131.8 146.33 61.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.49 -22.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 437' ' ' ASP . 43.1 p -116.89 -51.63 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 507' ' ' LYS . 11.1 mm -83.34 159.32 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 506' ' ' ILE . 16.5 mmtm -97.14 165.89 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 507' ' ' LYS . 21.5 p-10 -35.61 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.23 133.91 20.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.24 99.21 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.45 142.07 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -84.71 109.79 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.3 119.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -124.62 91.44 49.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.31 131.07 22.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.486 ' CB ' ' O ' ' A' ' 428' ' ' LYS . 22.0 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 483' ' ' VAL . 71.3 mtm180 -84.5 -56.4 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HA ' HD23 ' A' ' 476' ' ' LEU . 26.6 tttt -35.67 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 427' ' ' ARG . 46.9 t -146.34 120.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -81.01 120.05 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.552 HG22 HD12 ' A' ' 513' ' ' ILE . 17.6 t -121.04 117.93 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -122.21 131.23 8.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.18 37.28 1.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.18 140.68 36.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.472 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.76 147.06 7.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.01 2.49 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 31.71 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.7 tt -109.0 140.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.76 -176.8 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.79 -61.49 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 442' ' ' GLU . 11.2 t70 -42.19 -66.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 441' ' ' ASP . 48.4 mm-40 -35.13 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.4 mt -48.45 -45.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 18.0 m -62.73 -54.71 35.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.68 -25.87 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 14.5 m -72.28 -23.11 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.45 ' HB2' HD11 ' A' ' 453' ' ' LEU . 51.9 m-85 -122.53 13.92 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.37 -42.37 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -43.79 -32.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 85.5 m-85 -74.63 -45.69 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 158.47 166.32 17.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.79 125.58 8.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -146.86 -176.41 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.1 p -149.28 140.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 10.0 t -96.38 142.55 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -156.21 108.99 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 9.8 p90 -98.73 150.33 36.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.29 131.51 11.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 1.1 m80 61.37 47.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.67 -60.78 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -45.7 -59.77 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -47.85 -46.09 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 11.7 m -77.44 155.29 31.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 465' ' ' SER . 63.3 mttt -115.08 -58.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 464' ' ' LYS . 21.9 m -36.17 152.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -95.45 38.38 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -123.35 91.98 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.577 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.81 165.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.5 Cg_exo -46.95 179.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 469' ' ' PRO . 19.2 mmmt -33.64 -59.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.86 60.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 16.8 p90 -159.66 130.32 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.73 168.42 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.532 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 58.6 m-85 -118.23 123.53 45.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.42 134.41 42.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 428' ' ' LYS . 19.7 mt -119.88 92.5 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 486' ' ' LEU . 90.7 m-85 -66.58 115.37 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.72 -48.03 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.2 mm-40 -97.29 103.36 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 479' ' ' GLU . 50.2 mt-10 -37.14 -42.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.6 m -44.77 -47.88 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 64.1 m -45.04 -55.14 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 427' ' ' ARG . 94.1 t -38.83 -52.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -49.65 -59.3 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.13 50.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.458 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 36.3 tp -53.07 -56.19 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.5 mt -47.65 -47.77 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.98 -45.14 71.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.33 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.7 121.57 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.64 157.28 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -107.07 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.61 86.73 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 13.6 t0 64.64 41.9 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 95.72 -36.79 3.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -72.99 155.21 40.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 487' ' ' ILE . 40.6 mt -114.42 144.44 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -141.17 139.55 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 486' ' ' LEU . 26.2 tp -121.81 149.93 42.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.1 m -101.82 133.17 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 501' ' ' VAL . 29.7 m -139.05 118.4 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 2.0 t -99.91 133.65 43.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 157.32 40.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.3 -19.53 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 61.2 p -118.76 -47.38 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.8 mm -88.53 146.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.6 mmtm -87.55 170.65 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 507' ' ' LYS . 1.1 m-20 -36.71 105.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -108.0 130.36 22.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.2 84.71 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.399 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.92 139.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -73.69 106.34 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.552 HD12 HG22 ' A' ' 431' ' ' VAL . 15.3 mm -100.37 97.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.2 ttt180 -117.42 93.65 43.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.87 89.76 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 514' ' ' ARG . 37.0 t-105 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.423 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 72.3 mtm180 -76.56 -40.28 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -62.98 106.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.453 HG11 HD21 ' A' ' 486' ' ' LEU . 62.1 t -105.09 127.42 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.41 118.93 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.01 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.75 19.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.31 20.79 24.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 41.4 mt -76.18 142.34 71.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.511 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.7 Cg_exo -47.63 147.27 6.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.02 3.44 7.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.69 21.87 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -96.16 131.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.53 179.13 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 27.3 tt0 -51.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 17.9 t70 -34.39 -62.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.434 ' CB ' HG13 ' A' ' 438' ' ' ILE . 16.2 mt-10 -41.23 -65.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.535 HD13 HG11 ' A' ' 455' ' ' VAL . 69.0 mt -43.28 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.2 m -48.93 -56.46 8.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.5 -34.51 49.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' SER . . . . . 0.521 ' OG ' HG12 ' A' ' 501' ' ' VAL . 1.5 t -68.61 -20.95 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -121.22 8.7 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -75.75 -5.38 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.24 6.86 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 486' ' ' LEU . 65.5 m-85 -119.67 -29.57 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 143.65 165.08 10.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.58 122.76 5.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.07 -176.57 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 454' ' ' VAL . 8.7 p -147.57 130.04 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.535 HG11 HD13 ' A' ' 443' ' ' ILE . 3.1 t -92.46 123.65 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.31 100.86 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 18.3 p90 -93.61 158.55 36.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 118.53 2.21 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 60.61 50.05 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.489 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 12.1 tmtt? -84.96 -53.9 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.23 94.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 25.2 m -65.51 137.34 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -84.21 -39.82 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 42.2 t -72.06 140.23 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -88.87 41.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -115.53 95.11 42.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.36 166.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.266 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 470' ' ' LYS . 59.3 Cg_endo -72.82 -173.94 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 469' ' ' PRO . 0.0 OUTLIER -32.42 -69.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -175.21 61.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 6.6 p90 -156.0 123.83 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -142.48 164.1 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.06 111.06 19.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 55.9 mt -84.14 137.38 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 50.5 mt -124.89 77.65 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -54.03 138.67 36.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.73 -52.56 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.91 151.47 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -74.33 -39.78 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 75.0 m -44.52 -51.83 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 83.7 p -45.07 -41.2 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 92.7 t -49.41 -58.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.58 -45.62 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 450' ' ' PHE . 15.0 tp -52.88 -46.25 67.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.9 mt -67.13 -22.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -82.19 -34.06 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -86.45 -30.14 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 499' ' ' LEU . 68.5 m -82.65 117.53 22.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.75 178.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -145.24 139.86 27.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -115.81 -72.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.33 70.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.62 -22.7 6.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -102.77 153.27 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.57 171.11 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -156.71 118.63 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 511' ' ' VAL . 13.8 tp -110.47 143.82 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 25.2 p -96.7 129.99 44.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.521 HG12 ' OG ' ' A' ' 446' ' ' SER . 8.2 m -127.13 126.63 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 98.2 p -107.74 119.91 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.9 p -109.77 158.14 35.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.9 -24.44 3.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 81.2 p -109.1 -66.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 34.5 mm -73.74 149.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 26.1 mmtt -91.51 171.27 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.8 m-20 -34.13 106.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.825 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -115.03 133.48 22.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.36 90.75 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.547 HG23 HD11 ' A' ' 513' ' ' ILE . 3.0 m -76.24 132.9 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -68.86 106.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 511' ' ' VAL . 16.1 mm -101.7 110.2 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 516' ' ' TRP . 54.3 mtp180 -127.48 94.01 39.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.04 85.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 514' ' ' ARG . 32.3 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 429' ' ' VAL . 13.0 mtm105 -95.11 -45.39 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -51.64 129.16 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.638 ' CG1' HG23 ' A' ' 513' ' ' ILE . 42.9 t -127.25 123.81 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -85.93 125.51 33.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.726 HG22 ' CD1' ' A' ' 513' ' ' ILE . 58.7 t -120.91 112.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.14 119.62 4.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.3 35.57 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.96 142.39 48.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.575 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.73 146.33 8.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.0 0.4 10.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.34 30.0 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.1 tt -110.08 142.72 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -108.96 -179.38 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.1 tt0 -51.68 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 21.5 t0 -36.65 -66.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.452 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.4 mt-10 -35.14 -61.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 82.2 mt -47.07 -44.24 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.425 HG22 ' HG2' ' A' ' 448' ' ' ARG . 5.0 m -59.45 -59.93 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.52 -27.65 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 54.8 m -69.63 -25.45 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -126.34 26.16 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 451' ' ' GLY . 9.0 mmt180 -83.4 -49.31 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 448' ' ' ARG . 7.0 ptm180 -38.32 -38.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 49.9 m-85 -66.53 -41.75 88.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 154.12 161.28 10.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.74 122.99 5.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' A' ' 477' ' ' PHE . 2.3 pt? -144.6 -175.57 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 476' ' ' LEU . 2.6 p -146.21 146.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.22 128.97 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -139.93 110.72 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ2' ' HE2' ' A' ' 460' ' ' LYS . 11.3 p90 -99.42 144.3 28.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 138.21 10.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' HIS . . . . . 0.48 ' CG ' ' OE2' ' A' ' 462' ' ' GLU . 10.6 m170 61.83 43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.554 ' HE2' ' CZ2' ' A' ' 457' ' ' TRP . 19.7 tptp -77.2 -44.57 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.92 -58.83 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.48 ' OE2' ' CG ' ' A' ' 459' ' ' HIS . 1.2 pt-20 -49.72 -25.34 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 31.6 t -93.76 159.33 15.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -104.52 -62.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 66.6 m -48.81 165.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 467' ' ' PHE . 13.3 p90 -96.89 -48.41 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 466' ' ' TYR . 13.9 m-85 -33.78 96.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' TYR . 72.9 Cg_exo -43.45 163.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.1 Cg_exo -46.19 177.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.3 mptt -34.08 -51.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.56 71.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 32.1 p90 -170.85 125.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.68 161.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.23 142.07 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 73.3 mt -112.01 137.14 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.566 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.0 mt -119.18 110.18 16.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.502 ' CE1' HD13 ' A' ' 453' ' ' LEU . 90.2 m-85 -91.23 115.44 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -49.96 -51.0 44.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -92.57 111.35 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -45.2 -43.04 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.7 t -44.71 -46.73 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 57.9 m -47.32 -41.79 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 427' ' ' ARG . 75.4 t -48.5 -46.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.14 -67.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -38.56 -37.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.8 tp -63.38 -60.57 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 497' ' ' LEU . 79.7 mt -45.99 -53.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -49.79 -45.57 49.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.03 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 49.2 m -58.09 121.98 11.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.47 156.23 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -107.37 129.6 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -147.35 106.93 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.91 48.55 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 62.8 29.25 73.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -132.39 156.28 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.631 HD11 HG23 ' A' ' 487' ' ' ILE . 29.7 mt -105.2 141.16 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -144.83 127.28 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.3 tp -114.97 149.37 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.4 m -98.46 132.57 43.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -134.97 115.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 19.5 p -83.87 153.33 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 m -142.11 149.91 53.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.85 -36.52 15.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 7.9 p -103.81 -45.58 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 mm -93.11 142.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 35.9 mmtt -85.42 172.54 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.4 p-10 -34.29 100.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 509' ' ' LYS . 0.1 OUTLIER -106.22 126.93 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.92 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 510' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.6 Cg_endo -78.56 105.86 2.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.7 m -92.51 155.28 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.49 102.56 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.726 ' CD1' HG22 ' A' ' 431' ' ' VAL . 46.9 mm -98.0 100.0 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -115.27 91.27 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.77 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 480' ' ' GLU . 61.4 mtm-85 -59.73 -46.24 89.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.63 134.44 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 63.3 t -135.86 125.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -89.87 112.8 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 34.8 t -109.1 136.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -129.3 163.5 22.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 73.62 36.18 54.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.2 140.95 69.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.9 Cg_exo -47.88 144.69 11.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.03 3.56 7.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.677 2.252 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.98 32.97 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.9 tt -110.96 155.71 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.33 -175.09 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.7 tm-20 -58.04 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.7 t0 -36.15 -49.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.412 ' CB ' HG13 ' A' ' 438' ' ' ILE . 13.4 mm-40 -52.01 -60.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.2 mt -47.76 -37.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 448' ' ' ARG . 47.6 m -62.65 -59.48 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.41 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.2 m -56.6 -32.76 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.443 ' O ' HD22 ' A' ' 453' ' ' LEU . 68.4 m-85 -120.15 35.24 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.659 ' HG2' HG22 ' A' ' 444' ' ' THR . 8.7 mmm180 -96.72 -31.11 12.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -55.43 -18.87 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 71.3 m-85 -89.45 -41.62 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.65 -173.68 41.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.02 120.53 5.78 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -138.22 173.87 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 454' ' ' VAL . 12.2 p -131.41 128.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.48 118.97 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.01 98.3 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 15.5 p90 -99.65 148.95 35.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 136.59 8.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 62.36 51.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 33.4 tttp -108.92 -45.78 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.2 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.52 -46.8 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 28.2 t -47.23 144.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -87.86 -55.07 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 40.9 m -63.92 141.37 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -84.7 44.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.96 144.29 34.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.694 0.759 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.43 ' HA ' ' CE2' ' A' ' 457' ' ' TRP . 61.5 Cg_endo -77.18 169.63 21.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.579 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -73.89 -175.97 2.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 469' ' ' PRO . 5.7 mtpm? -33.28 -57.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.25 72.86 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 33.3 p90 -175.09 119.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -139.23 164.16 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.87 110.44 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.29 122.14 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 89.1 mt -106.61 84.63 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.52 123.58 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -47.91 -60.24 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.3 136.58 36.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.458 ' HG3' ' CG ' ' A' ' 427' ' ' ARG . 15.4 mt-10 -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.8 t -41.74 -54.69 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 56.1 p -42.97 -40.93 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.57 -58.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.79 -55.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.63 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.536 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 30.3 tp -60.35 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 497' ' ' LEU . 68.5 mt -43.16 -53.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.06 -36.77 65.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.67 114.05 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.04 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -149.25 140.97 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.67 -73.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -126.77 70.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.39 -29.75 3.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -98.87 153.95 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 487' ' ' ILE . 25.3 mt -94.84 167.08 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.419 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 95.8 m-85 -158.09 121.81 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.39 143.86 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -98.96 136.73 38.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.42 118.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -98.57 114.64 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.6 p -100.28 155.36 36.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.65 -20.69 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 18.7 p -119.42 -67.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.13 134.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -68.64 172.56 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.63 111.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -106.44 128.92 25.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.46 87.54 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 14.7 m -84.39 137.54 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -73.84 142.54 46.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.8 mm -123.99 119.92 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 516' ' ' TRP . 1.2 mmp_? -131.93 87.78 43.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 84.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 514' ' ' ARG . 45.4 t-105 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.742 ' HA ' HG21 ' A' ' 483' ' ' VAL . 4.7 mtt85 -89.93 -42.54 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' A' ' 516' ' ' TRP . 17.6 tttp -45.83 146.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t -137.54 143.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -106.03 117.94 35.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 42.9 t -119.18 120.12 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.49 138.52 13.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.92 3.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.14 141.19 49.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -48.07 147.42 8.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.322 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 0.39 10.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -133.32 36.6 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.8 tt -120.77 133.13 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 439' ' ' ASP . 41.4 p30 -101.02 -174.83 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.0 tt0 -55.41 -69.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.4 m-20 -33.76 -64.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 442' ' ' GLU . 0.1 OUTLIER -42.12 -57.16 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 97.4 mt -50.0 -44.44 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 448' ' ' ARG . 35.4 m -55.94 -55.78 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.71 -36.64 57.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 68.1 m -62.37 -33.35 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 499' ' ' LEU . 64.3 m-85 -121.63 22.17 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 444' ' ' THR . 13.0 tpt180 -83.07 -45.8 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 448' ' ' ARG . 13.8 ptm180 -36.09 -50.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.63 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.2 m-85 -54.56 -47.66 72.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.31 160.88 12.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.09 128.0 11.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.05 -176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.9 p -144.42 134.86 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.98 137.39 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.49 109.92 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 7.7 p90 -100.03 158.05 32.74 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.74 152.65 53.27 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 13.5 m170 63.83 43.56 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 463' ' ' SER . 37.7 tttm -93.25 -53.38 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -40.26 -53.12 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -83.31 36.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 460' ' ' LYS . 10.3 t -114.71 144.78 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.98 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 80.4 p -117.65 153.58 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -88.71 34.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -111.4 98.27 39.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -42.74 165.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -46.04 176.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -40.54 -54.35 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.54 64.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 27.1 p90 -169.55 128.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.928 0.394 . . . . 0.0 110.93 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.94 175.2 10.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -122.31 137.84 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 23.6 mt -114.22 136.98 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 22.0 mt -117.45 90.2 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -60.32 -65.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.07 121.15 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -48.09 -37.48 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.4 m -49.48 -51.41 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 5.9 m -43.51 -43.88 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.742 HG21 ' HA ' ' A' ' 427' ' ' ARG . 91.4 t -48.52 -53.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -59.03 -52.99 63.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.72 50.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.63 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.2 tp -57.86 -51.88 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 497' ' ' LEU . 49.8 mt -56.36 -42.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.6 -41.17 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.82 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 80.5 m -67.47 112.34 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.67 178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -141.4 138.64 33.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -70.29 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -133.7 72.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.57 -28.12 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -102.65 153.16 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.871 HD11 HG23 ' A' ' 487' ' ' ILE . 16.0 mt -92.19 174.09 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 92.1 m-85 -159.93 119.99 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 511' ' ' VAL . 15.5 tp -111.16 135.77 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.7 m -86.59 136.56 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.5 m -134.5 117.45 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 78.1 p -100.01 124.76 45.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.1 m -113.09 158.85 36.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.11 -21.88 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 32.9 p -120.3 -53.19 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 49.5 mm -78.61 142.11 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 508' ' ' ASP . 1.2 mmmm -86.62 167.53 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.2 p-10 -35.12 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -103.08 127.02 30.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.27 84.8 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 499' ' ' LEU . 4.8 m -73.15 144.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -80.05 107.57 12.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.0 107.26 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -125.91 93.05 44.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.735 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 90.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 428' ' ' LYS . 45.7 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 477' ' ' PHE . 6.3 mtp-105 -87.76 -35.11 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.444 ' CG ' HD21 ' A' ' 476' ' ' LEU . 20.4 mtmm -58.97 131.26 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.682 HG21 ' HE2' ' A' ' 477' ' ' PHE . 92.5 t -126.1 125.4 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -88.57 108.8 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 513' ' ' ILE . 19.2 t -106.21 118.66 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -117.13 171.29 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.35 77.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.08 143.6 35.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.14 142.96 8.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -80.1 14.5 1.91 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.721 2.28 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 438' ' ' ILE . 1.6 m-20 -132.77 -38.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 437' ' ' ASP . 15.4 tt -36.95 137.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.49 -174.83 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 441' ' ' ASP . 32.7 tt0 -61.28 -70.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 440' ' ' GLU . 0.5 OUTLIER -34.1 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 441' ' ' ASP . 9.9 mt-10 -34.47 -63.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 87.9 mt -39.91 -56.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.3 m -50.02 -54.85 17.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.14 -28.46 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.5 t -69.7 -20.76 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.33 12.83 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -69.7 -42.39 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -39.85 -49.87 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.3 m-85 -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.87 -167.75 39.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 123.72 7.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.3 pt? -144.65 -175.54 4.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.42 145.84 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.51 118.48 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.68 113.21 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 460' ' ' LYS . 3.0 p90 -99.89 159.1 30.8 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.86 -54.79 3.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 463' ' ' SER . 94.1 m-70 -97.97 74.78 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 457' ' ' TRP . 37.7 tttm -108.12 -55.3 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.87 -58.05 10.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.61 -49.82 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 459' ' ' HIS . 27.8 t -46.6 120.24 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -30.63 23.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 12.1 p -78.22 -179.08 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' TYR . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 467' ' ' PHE . 34.2 p90 -116.07 21.15 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' PHE . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 42.0 m-85 -107.86 94.93 13.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 466' ' ' TYR . 74.7 Cg_exo -43.19 165.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.4 Cg_exo -45.87 177.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.9 ttmm -35.51 -59.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -173.57 49.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 6.9 p90 -147.15 137.34 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.31 164.15 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -114.98 119.74 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.475 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.4 mt -96.46 135.27 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 428' ' ' LYS . 41.7 mt -116.6 95.81 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.682 ' HE2' HG21 ' A' ' 429' ' ' VAL . 82.3 m-85 -69.23 109.46 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -46.67 -41.48 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -102.7 118.55 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -49.64 -32.76 13.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' SER . 37.5 p -54.83 -55.84 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 481' ' ' SER . 23.1 m -37.53 -45.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.96 -52.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 485' ' ' ALA . 66.8 tp60 -55.62 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 485' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 484' ' ' GLN . . . -34.39 -39.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.527 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 17.5 tp -63.68 -57.34 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 497' ' ' LEU . 95.4 mt -48.38 -34.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.42 -36.37 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.29 -42.38 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.37 111.2 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.3 mt -44.39 164.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -118.21 122.74 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.28 87.82 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 20.3 t0 72.06 41.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.44 -35.04 3.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.56 163.26 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 487' ' ' ILE . 81.6 mt -119.74 151.72 38.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -148.33 146.99 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.3 tp -129.42 143.66 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.55 132.54 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 501' ' ' VAL . 12.4 m -144.02 121.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -110.54 130.3 55.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 506' ' ' ILE . 49.3 m -106.83 155.71 38.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.58 -19.51 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 41.2 p -116.18 -34.11 4.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 503' ' ' SER . 48.2 mm -105.06 144.55 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -87.1 164.9 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -33.82 110.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -117.44 128.75 25.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 92.59 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.615 HG23 HD11 ' A' ' 513' ' ' ILE . 11.7 m -80.67 132.46 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.92 103.67 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.615 HD11 HG23 ' A' ' 511' ' ' VAL . 6.8 mm -96.71 113.12 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 516' ' ' TRP . 7.8 mtp-105 -127.12 93.24 42.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.9 87.83 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 514' ' ' ARG . 53.9 t-105 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -97.46 -31.42 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.539 ' HE2' HD21 ' A' ' 476' ' ' LEU . 3.4 tppp? -56.46 137.35 53.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.65 116.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -83.95 132.11 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 475' ' ' LEU . 26.9 t -125.7 121.45 59.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.27 117.6 2.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 128.91 19.59 1.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 26.9 mt -67.89 144.29 97.11 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.585 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.2 Cg_exo -46.5 148.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.265 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.63 0.39 10.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -134.84 37.46 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.8 tt -113.18 136.36 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -97.57 172.77 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 441' ' ' ASP . 65.3 tt0 -50.05 -68.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 10.0 t0 -37.48 -64.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 441' ' ' ASP . 6.8 mm-40 -36.32 -61.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 59.7 mt -42.79 -57.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.487 HG22 ' HG2' ' A' ' 448' ' ' ARG . 25.7 m -47.63 -57.05 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.82 -29.66 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -71.48 -25.25 62.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.562 ' O ' HD22 ' A' ' 453' ' ' LEU . 81.9 m-85 -121.38 23.66 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.487 ' HG2' HG22 ' A' ' 444' ' ' THR . 7.3 mmm180 -82.1 -50.83 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 448' ' ' ARG . 9.4 ptm180 -34.83 -53.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 67.7 m-85 -53.04 -42.73 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 156.47 158.87 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.43 125.87 7.88 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.14 -175.18 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 13.0 p -146.05 131.74 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 475' ' ' LEU . 12.5 t -93.45 113.98 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -128.44 114.78 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.526 ' CE2' ' HG2' ' A' ' 460' ' ' LYS . 6.0 p90 -100.05 159.31 30.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.13 125.43 6.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 62.65 37.84 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.526 ' HG2' ' CE2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -56.46 -51.64 67.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ALA . . . . . 0.474 ' HB3' ' OE2' ' A' ' 462' ' ' GLU . . . -35.07 -44.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 461' ' ' ALA . 2.3 mp0 -91.96 125.92 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 75.9 p -169.27 153.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -109.51 -64.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.2 t -105.83 178.56 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 466' ' ' TYR . 30.1 p90 -85.9 38.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.6 102.34 35.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.09 148.35 39.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 73.5 Cg_exo -47.44 -179.25 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 21.6 mtmm -33.82 149.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -47.19 90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 470' ' ' LYS . 11.4 p90 -174.96 135.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -168.16 171.4 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.24 122.32 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.621 HD11 HG21 ' A' ' 431' ' ' VAL . 13.8 mt -96.03 148.5 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 428' ' ' LYS . 27.5 mt -130.15 96.36 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 478' ' ' GLN . 79.8 m-85 -73.58 109.98 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 477' ' ' PHE . 11.9 tt0 -37.64 -56.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.51 156.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -42.67 21.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' SER . 26.5 t -42.04 -59.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' SER . 59.4 p -36.05 -51.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.53 -57.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -45.85 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.41 -35.23 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.5 tp -64.92 -52.07 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.585 HG23 HD11 ' A' ' 497' ' ' LEU . 76.3 mt -56.18 -56.68 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.15 -40.5 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.23 56.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 81.1 m -65.48 142.36 58.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 28.2 mt -91.11 138.07 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -111.98 133.45 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.3 -70.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -122.15 84.67 2.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.19 16.9 3.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -139.5 144.42 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.585 HD11 HG23 ' A' ' 487' ' ' ILE . 41.1 mt -97.72 169.83 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 78.0 m-85 -158.13 126.19 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 511' ' ' VAL . 22.3 tp -118.48 135.13 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 76.3 m -89.69 132.81 34.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 501' ' ' VAL . 17.4 m -133.52 118.19 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 12.0 m -91.55 117.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 49.3 m -102.89 155.2 36.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.04 -31.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 38.1 p -106.23 -60.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.24 137.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 508' ' ' ASP . 11.3 mmtp -75.9 172.6 12.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.7 OUTLIER -34.23 106.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.18 126.25 30.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.88 89.81 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 499' ' ' LEU . 5.6 m -79.28 147.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -84.15 101.71 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 431' ' ' VAL . 22.8 mm -96.28 115.41 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 516' ' ' TRP . 19.4 ttm180 -127.32 93.41 41.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.72 84.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.373 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 514' ' ' ARG . 46.7 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.497 ' HA ' HG21 ' A' ' 483' ' ' VAL . 55.9 mtm-85 -75.68 -43.52 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 474' ' ' PHE . 15.1 tttp -43.78 144.39 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 427' ' ' ARG . 88.3 t -140.11 127.63 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.54 127.24 35.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 513' ' ' ILE . 18.6 t -126.21 116.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.84 153.55 16.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 85.91 36.11 10.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.9 mt -79.13 142.47 59.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.593 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.9 Cg_exo -47.2 146.36 6.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.29 1.76 8.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -131.56 31.73 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -112.29 150.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.56 ' OD1' ' CE1' ' A' ' 467' ' ' PHE . 0.2 OUTLIER -118.4 -176.28 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 441' ' ' ASP . 6.0 tm-20 -55.28 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.4 t70 -34.34 -59.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.89 -57.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 468' ' ' PRO . 65.9 mt -48.43 -51.98 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 448' ' ' ARG . 5.4 m -48.57 -52.78 21.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.8 -33.88 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 63.8 m -67.1 -28.47 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.458 ' CE2' HD23 ' A' ' 499' ' ' LEU . 58.7 m-85 -124.77 25.63 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.6 tpp180 -87.24 -43.82 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 448' ' ' ARG . 18.8 ptt180 -37.36 -49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 52.2 m-85 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.62 -169.42 37.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.21 127.09 9.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -149.13 177.92 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -136.79 137.79 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 9.7 t -91.95 139.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -152.0 108.95 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.591 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.8 p90 -100.03 149.31 35.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.93 -54.57 5.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -77.33 57.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 25.3 tttt -134.18 -53.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.81 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.47 -52.69 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 26.5 m -115.15 79.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.24 144.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 3.0 m -174.99 -178.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 466' ' ' TYR . 1.1 p90 -117.6 -23.7 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' PHE . . . . . 0.56 ' CE1' ' OD1' ' A' ' 439' ' ' ASP . 7.9 m-85 -97.48 108.81 47.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.529 ' HG2' HD11 ' A' ' 443' ' ' ILE . 74.3 Cg_exo -48.2 160.34 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.9 Cg_exo -46.21 178.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -39.22 -38.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 169.26 66.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 31.9 p90 -175.04 123.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.33 170.07 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 428' ' ' LYS . 60.6 m-85 -117.75 138.43 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.465 ' HB3' HD12 ' A' ' 453' ' ' LEU . 32.8 mt -112.57 129.61 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 18.8 mt -110.52 96.2 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -73.44 134.01 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -66.87 -58.77 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.85 109.51 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -42.01 -43.91 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 38.7 t -42.93 -56.51 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 99.9 p -39.91 -52.81 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 427' ' ' ARG . 88.1 t -38.39 -50.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -55.65 -58.76 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.19 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 29.2 tp -65.69 -54.75 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 497' ' ' LEU . 78.2 mt -51.69 -50.92 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.45 -43.64 68.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.93 77.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 63.6 m -65.04 109.42 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.85 -178.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -147.05 142.16 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -125.58 -70.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.16 89.96 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.66 14.52 2.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -137.88 147.13 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 487' ' ' ILE . 27.2 mt -97.56 170.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.6 m-85 -158.95 139.1 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 447' ' ' PHE . 32.3 tp -128.84 148.5 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.05 131.13 41.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 501' ' ' VAL . 19.7 m -129.0 113.8 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 85.3 p -86.54 139.21 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.7 m -129.1 156.29 78.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.65 -39.77 18.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 39.7 p -101.55 -60.83 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.1 mm -76.18 149.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 508' ' ' ASP . 23.2 mmtm -90.73 171.45 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.67 105.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -105.24 132.08 21.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.11 93.94 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.55 146.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -81.76 104.62 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 431' ' ' VAL . 41.0 mm -96.73 109.31 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -127.53 93.21 41.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.88 97.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.882 0.372 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.585 ' O ' HG23 ' A' ' 429' ' ' VAL . 52.7 mtm180 -63.44 -44.81 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.487 ' HG2' HD21 ' A' ' 476' ' ' LEU . 14.2 mmtm -55.54 112.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.6 t -114.6 104.33 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.92 123.51 21.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.43 134.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.25 159.79 23.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 81.38 17.74 70.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.66 141.52 79.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.723 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.6 Cg_exo -47.24 145.85 7.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 4.07 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -132.87 30.66 4.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.8 tt -109.94 162.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.73 -174.92 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -59.31 -61.54 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 442' ' ' GLU . 3.3 m-20 -45.95 -65.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 441' ' ' ASP . 10.1 mm-40 -34.45 -61.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.9 mt -45.52 -42.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 441' ' ' ASP . 38.3 m -61.76 -60.94 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.83 -25.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 21.3 t -74.38 -23.53 59.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 453' ' ' LEU . 37.9 m-85 -121.68 18.91 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -83.98 -22.68 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -52.14 -33.56 40.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 63.7 m-85 -80.13 -30.08 38.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 148.93 160.05 8.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.48 127.24 7.46 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.4 pt? -146.67 168.29 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 476' ' ' LEU . 14.9 p -130.37 132.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.57 147.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.86 108.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CH2' ' NZ ' ' A' ' 460' ' ' LYS . 5.4 p90 -99.04 153.1 37.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.539 0.685 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.98 -61.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.23 71.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.481 ' NZ ' ' CH2' ' A' ' 457' ' ' TRP . 21.0 tttp -121.32 -69.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.28 69.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.12 33.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 4.1 t -132.27 173.03 11.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -115.62 -44.36 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 28.8 t -84.98 159.68 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -105.95 31.31 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -110.68 97.0 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.36 102.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.589 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -44.04 152.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 469' ' ' PRO . 12.0 tttp 35.71 31.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 45.57 93.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.43 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 4.4 p90 -175.25 138.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -161.89 165.68 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.063 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -113.95 123.36 49.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 19.7 mt -89.4 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.524 ' HB2' HG13 ' A' ' 454' ' ' VAL . 27.2 mt -120.01 79.65 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.08 116.64 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -39.08 -44.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -111.45 149.03 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -72.01 -42.26 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 482' ' ' SER . 40.0 t -39.78 -62.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 481' ' ' SER . 51.8 p -35.29 -52.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 482' ' ' SER . 96.6 t -34.37 -48.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -55.89 -53.85 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -52.71 -30.51 32.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 23.9 tp -69.5 -52.43 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.466 HG23 HD11 ' A' ' 497' ' ' LEU . 57.7 mt -53.47 -43.01 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.51 -45.9 90.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.88 80.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.47 115.86 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.31 -178.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 492' ' ' GLU . 6.6 tm-20 -142.42 138.46 31.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' A' ' 492' ' ' GLU . 9.7 tt0 -116.49 -72.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.85 71.34 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 81.88 -23.85 4.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -102.97 152.89 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 24.3 mt -94.31 170.87 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 70.5 m-85 -160.36 129.99 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.1 tp -123.86 130.52 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.51 142.17 34.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.99 113.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 99.3 p -88.29 131.99 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.2 m -116.66 156.84 47.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -22.31 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 42.8 p -120.67 -63.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.32 145.7 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.6 mmmt -84.62 166.46 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.8 OUTLIER -34.66 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -107.62 130.95 22.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.69 101.83 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 499' ' ' LEU . 3.3 m -96.25 125.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' GLN . . . . . 0.463 ' O ' HD13 ' A' ' 513' ' ' ILE . 16.6 mt-30 -57.7 141.53 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 512' ' ' GLN . 18.4 mm -128.45 129.54 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.1 ttt180 -145.6 105.03 4.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.67 78.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 514' ' ' ARG . 76.7 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 483' ' ' VAL . 76.9 mtm180 -57.05 -58.36 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 48.6 tttp -35.52 128.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 427' ' ' ARG . 60.0 t -122.05 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -98.69 113.34 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 37.2 t -112.83 116.84 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.02 139.39 15.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 102.48 31.69 5.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.3 mt -78.24 142.12 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.642 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.7 Cg_exo -47.62 146.37 7.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.85 -0.12 10.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -134.97 38.69 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.0 tt -113.1 141.26 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.29 -176.26 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.1 tt0 -60.01 -70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 440' ' ' GLU . 1.5 m-20 -34.15 -59.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.27 -47.86 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 11.4 m -52.87 -55.78 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.73 -38.52 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 499' ' ' LEU . 91.6 m-85 -121.11 33.43 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -97.5 -41.9 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -24.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.518 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.8 m-85 -78.06 -37.19 47.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 155.55 157.8 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 119.35 2.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -138.85 -177.11 4.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.8 p -141.07 134.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.45 HG12 ' CE3' ' A' ' 457' ' ' TRP . 45.5 t -87.3 117.52 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.27 102.03 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.457 ' HB2' ' CD ' ' A' ' 469' ' ' PRO . 9.0 p90 -99.84 155.41 36.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 149.07 61.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.46 53.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 461' ' ' ALA . 22.6 tttt -100.54 -58.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -36.74 -56.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -50.01 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 27.7 m -79.83 84.52 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.18 78.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.4 t -169.33 158.86 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -88.69 38.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.01 126.91 26.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.451 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 62.5 Cg_endo -77.99 159.93 30.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.8 Cg_exo -46.28 178.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 86.4 mttt -34.02 -49.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 179.17 68.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.7 p90 -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -147.11 171.69 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.546 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 84.2 m-85 -120.43 120.15 35.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.63 125.62 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 53.0 mt -110.33 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -52.27 149.19 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -76.55 -62.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -90.15 115.3 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.26 -37.16 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 48.1 m -52.02 -42.25 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 59.8 p -56.0 -27.36 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 427' ' ' ARG . 99.9 t -63.71 -49.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -51.33 -55.48 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.02 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.518 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 23.1 tp -55.81 -60.94 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.9 mt -42.95 -58.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.45 -42.53 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.06 80.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 56.6 m -66.3 113.28 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.48 -177.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.46 138.72 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -117.91 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -125.34 70.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.42 -29.31 3.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -98.24 154.83 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 22.6 mt -95.15 170.87 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 96.8 m-85 -159.79 134.17 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 447' ' ' PHE . 19.7 tp -120.62 141.68 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.3 m -92.83 129.11 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 501' ' ' VAL . 16.7 m -126.79 114.59 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 23.9 p -90.13 130.16 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 36.9 m -117.66 157.64 47.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.89 -19.54 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 31.0 p -131.02 -65.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.91 103.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -46.67 171.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -42.5 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -108.02 134.33 20.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.73 92.15 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.96 147.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -80.75 107.95 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 28.0 mm -97.08 99.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 516' ' ' TRP . 18.2 ttt180 -117.85 94.02 45.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.2 Cg_exo -45.39 87.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 514' ' ' ARG . 64.4 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.468 ' NE ' ' HG3' ' A' ' 480' ' ' GLU . 8.8 mtt85 -79.51 -32.75 42.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.535 ' HD3' HD21 ' A' ' 476' ' ' LEU . 23.0 ttpt -59.32 137.84 57.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.52 ' CG1' HG23 ' A' ' 513' ' ' ILE . 53.8 t -126.17 138.18 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -98.34 111.3 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 513' ' ' ILE . 49.1 t -108.64 119.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.09 154.74 16.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 79.78 43.16 10.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.98 142.6 41.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.643 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -47.93 144.98 10.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.707 2.272 . . . . 0.0 112.403 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.97 0.69 9.83 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -134.02 36.63 3.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.3 tt -115.65 135.49 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.97 172.89 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 441' ' ' ASP . 19.7 tt0 -52.92 -70.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.7 m-20 -35.81 -54.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.99 -57.4 3.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 455' ' ' VAL . 64.0 mt -49.29 -44.03 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 26.6 m -55.89 -55.14 36.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.62 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 58.1 m -57.81 -32.16 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.559 ' O ' HD22 ' A' ' 453' ' ' LEU . 86.7 m-85 -121.9 35.23 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 451' ' ' GLY . 13.8 tpt180 -98.87 -43.6 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 3.4 ptp180 -39.0 -44.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 486' ' ' LEU . 92.5 m-85 -60.73 -41.34 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.95 -170.6 40.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.14 120.93 5.89 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -139.52 -177.71 5.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.4 p -140.74 134.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.546 HG12 ' CE3' ' A' ' 457' ' ' TRP . 19.2 t -89.53 113.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -128.45 103.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 7.8 p90 -99.43 155.81 36.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.98 155.55 52.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.228 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 64.45 31.99 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 457' ' ' TRP . 30.6 tptt -79.2 -47.69 15.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -44.26 -64.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.34 -47.36 81.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 18.2 t -69.46 81.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 465' ' ' SER . 0.0 OUTLIER -58.38 -29.67 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.403 ' N ' ' HD2' ' A' ' 464' ' ' LYS . 36.8 m -63.36 139.49 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -81.97 42.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.58 116.32 22.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.42 169.18 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.56 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 61.7 Cg_endo -77.05 179.9 6.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.5 mptp? -33.84 -55.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.26 72.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 15.7 p90 -174.75 121.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.97 172.13 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.4 128.42 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 431' ' ' VAL . 33.1 mt -103.62 126.45 50.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.535 HD21 ' HD3' ' A' ' 428' ' ' LYS . 57.7 mt -109.0 84.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -58.94 126.56 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -44.83 -63.24 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -98.95 161.61 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.468 ' HG3' ' NE ' ' A' ' 427' ' ' ARG . 30.2 mt-10 -76.48 -45.77 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 480' ' ' GLU . 2.4 m -35.23 -53.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 24.9 p -44.04 -48.72 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.8 t -42.57 -48.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.1 -53.18 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -53.26 -39.2 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 450' ' ' PHE . 14.4 tp -63.1 -54.74 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.775 HG23 HD11 ' A' ' 497' ' ' LEU . 47.9 mt -51.24 -57.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -46.25 -38.82 9.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.87 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 79.2 m -66.82 113.05 4.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.13 -177.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -145.15 142.28 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -121.35 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -126.65 70.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.41 -29.5 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -99.08 156.98 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.775 HD11 HG23 ' A' ' 487' ' ' ILE . 16.7 mt -95.59 172.88 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.7 m-85 -160.9 119.17 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' ' 447' ' ' PHE . 26.8 tp -109.71 142.9 40.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 60.7 m -95.43 126.0 40.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 501' ' ' VAL . 34.2 m -120.97 120.55 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 502' ' ' SER . . . . . 0.423 ' HB3' ' CG ' ' A' ' 508' ' ' ASP . 61.2 p -97.62 125.84 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 18.5 p -122.65 144.23 41.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -19.78 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 29.9 p -103.94 -57.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.1 143.99 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -72.35 171.07 12.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 502' ' ' SER . 6.0 m-20 -43.07 101.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -100.02 132.61 22.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.18 84.92 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.86 142.04 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -80.36 114.43 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 431' ' ' VAL . 43.0 mm -101.01 107.0 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -123.02 93.9 47.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 90.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.885 0.374 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 427' ' ' ARG . 29.3 mtm105 -45.61 -30.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.5 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 18.3 tttp -57.15 137.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.25 130.71 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -86.98 138.09 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.426 HG22 HD13 ' A' ' 513' ' ' ILE . 12.2 t -134.54 122.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -131.81 116.95 1.98 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 129.5 20.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.08 143.7 84.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 438' ' ' ILE . 71.7 Cg_exo -46.09 150.71 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.748 2.299 . . . . 0.0 112.304 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -78.81 -1.49 11.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.34 39.29 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.2 tt -111.44 133.69 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -91.75 -174.99 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 441' ' ' ASP . 41.4 tt0 -62.78 -66.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 444' ' ' THR . 0.3 OUTLIER -37.97 -65.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 441' ' ' ASP . 25.4 mt-10 -35.1 -56.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 73.9 mt -48.08 -43.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.46 HG22 ' HG2' ' A' ' 448' ' ' ARG . 4.0 m -62.36 -56.88 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.2 -39.27 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 13.3 m -62.38 -27.65 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.675 ' O ' HD22 ' A' ' 453' ' ' LEU . 92.4 m-85 -121.52 31.31 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.46 ' HG2' HG22 ' A' ' 444' ' ' THR . 3.7 mmm180 -93.08 -45.24 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -39.16 -46.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -60.76 -42.47 97.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 166.11 -174.73 41.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.46 118.23 4.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.5 pt? -135.03 176.8 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.1 p -134.05 134.17 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.4 t -90.36 141.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.1 114.0 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.2 p90 -100.04 159.64 29.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.79 -65.23 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -87.56 66.18 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 36.0 tttm -108.71 -49.24 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.31 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' SER . 1.1 mp0 -65.19 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' GLU . 89.6 p -34.62 150.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.44 -59.36 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 87.9 p -53.87 163.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.22 36.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -116.76 92.99 39.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.99 167.78 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -45.85 176.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -41.87 -55.77 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.2 70.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 36.0 p90 -174.65 132.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -154.87 179.06 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.5 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 51.5 m-85 -122.36 147.61 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.496 ' HB3' HD12 ' A' ' 453' ' ' LEU . 56.8 mt -122.18 130.64 53.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 41.2 mt -114.18 87.51 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.81 127.8 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -41.8 -61.01 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.38 161.14 13.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.45 -44.39 35.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -39.79 -51.78 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 12.0 p -46.7 -51.8 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.28 -48.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.77 -60.09 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.22 -37.15 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.4 -59.32 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 497' ' ' LEU . 87.7 mt -42.22 -53.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.78 -40.06 72.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.67 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.29 117.05 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.21 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.99 140.79 29.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -122.72 -74.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.33 70.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.56 -26.09 4.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 514' ' ' ARG . 41.4 mttt -102.65 157.61 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 487' ' ' ILE . 14.2 mt -99.32 164.01 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -155.48 116.49 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.0 tp -105.97 128.08 53.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 3.9 m -80.75 121.86 26.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.3 m -115.59 122.72 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 41.6 p -91.48 155.09 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 506' ' ' ILE . 14.8 m -147.62 156.09 45.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -45.02 -40.57 15.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 30.7 p -96.68 -54.29 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 503' ' ' SER . 49.1 mm -91.13 145.47 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.13 173.68 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.0 p-10 -34.3 110.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -125.92 109.58 24.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.58 129.4 23.32 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 499' ' ' LEU . 2.5 m -119.33 134.48 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -65.56 101.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.426 HD13 HG22 ' A' ' 431' ' ' VAL . 12.1 mm -97.96 111.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 516' ' ' TRP . 26.0 mmm180 -126.29 93.14 43.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 72.5 Cg_exo -47.12 84.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.486 ' N ' ' O ' ' A' ' 514' ' ' ARG . 70.8 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.413 ' HA ' HG21 ' A' ' 483' ' ' VAL . 51.8 mtm180 -83.73 -12.34 55.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 476' ' ' LEU . 14.3 tptm -78.4 109.71 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 513' ' ' ILE . 74.3 t -113.93 128.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -91.4 137.33 32.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 5.5 t -128.45 131.28 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -128.56 149.71 18.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.62 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.76 143.57 90.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.704 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.34 147.67 5.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.05 0.79 9.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -132.71 34.7 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.2 tt -112.28 128.86 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.68 173.14 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.0 tt0 -46.16 -69.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.2 t0 -34.22 -64.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 438' ' ' ILE . 5.5 mm-40 -35.67 -59.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.06 -47.4 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 448' ' ' ARG . 6.7 m -55.15 -59.57 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.22 -26.51 60.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 62.5 m -73.1 -27.3 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.0 13.46 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 444' ' ' THR . 15.5 tpt180 -80.3 -31.58 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -55.1 -14.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.5 m-85 -93.93 -24.61 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 142.97 159.56 8.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.76 118.22 2.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.89 -178.07 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 476' ' ' LEU . 6.3 p -141.75 142.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.7 t -99.71 141.37 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.7 112.6 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 2.3 p90 -100.18 159.02 30.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.54 -65.31 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' A' ' 459' ' ' HIS . 23.2 p80 -97.76 83.69 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 457' ' ' TRP . 6.9 ptmt -118.9 -38.78 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -84.82 -47.86 9.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.34 -47.81 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.6 m -54.29 162.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 23.65 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 16.7 m -142.39 157.76 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 467' ' ' PHE . 2.3 p90 -81.22 -52.48 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 466' ' ' TYR . 19.7 m-85 -33.29 96.38 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.66 0.743 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 466' ' ' TYR . 71.3 Cg_exo -45.42 171.0 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.481 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 72.0 Cg_exo -45.82 177.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -48.28 -49.0 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -177.59 57.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.8 p90 -164.85 124.56 1.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.38 170.18 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.496 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 27.8 m-85 -118.05 146.37 44.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 38.5 mt -117.5 143.85 45.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.609 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.2 mt -128.87 87.87 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 482' ' ' SER . 88.0 m-85 -63.96 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -63.26 -51.16 67.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 480' ' ' GLU . 17.9 mt-10 -103.58 114.37 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 479' ' ' GLU . 19.3 mt-10 -36.95 -40.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 4.7 t -44.35 -53.57 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.54 ' HB3' ' CD1' ' A' ' 477' ' ' PHE . 3.9 m -38.05 -51.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 427' ' ' ARG . 98.7 t -41.26 -55.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -50.76 -59.99 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.73 -37.99 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 450' ' ' PHE . 13.0 tp -65.32 -62.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 497' ' ' LEU . 90.9 mt -39.92 -51.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.88 -47.87 67.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.48 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 39.8 m -50.04 116.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 498' ' ' TYR . 18.3 mt -54.16 172.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.09 124.13 44.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -133.55 86.7 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.52 43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.49 -38.8 3.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -68.91 163.64 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 487' ' ' ILE . 82.1 mt -116.5 145.13 43.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 491' ' ' LEU . 96.9 m-85 -148.45 128.72 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.6 tp -111.62 135.58 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 4.6 p -81.58 118.52 22.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.01 105.42 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 42.5 p -96.61 129.38 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 67.0 m -109.21 155.66 40.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.73 -21.49 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 6.7 p -109.1 -54.88 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.69 141.1 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -77.09 165.23 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.479 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 1.8 m-20 -33.73 111.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -124.68 106.24 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 53.7 Cg_exo -54.08 134.3 59.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.31 137.48 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.41 114.25 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.503 HG23 ' CG1' ' A' ' 429' ' ' VAL . 46.1 mm -105.65 97.03 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -109.25 95.22 17.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.93 90.75 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 429' ' ' VAL . 12.8 mtt85 -73.99 -40.19 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.626 ' HA ' HD23 ' A' ' 476' ' ' LEU . 19.6 tttp -49.49 144.45 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.421 ' CG1' HG23 ' A' ' 513' ' ' ILE . 64.7 t -138.73 131.59 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -89.47 129.46 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 13.1 t -125.97 121.2 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -125.42 119.71 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 511' ' ' VAL . . . 125.17 27.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.453 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.63 142.37 66.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.3 Cg_exo -47.44 151.14 3.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.18 -1.13 11.32 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -134.99 40.02 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.1 tt -111.83 137.53 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -102.09 171.14 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 441' ' ' ASP . 67.1 tt0 -47.85 -69.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 440' ' ' GLU . 14.0 t0 -35.44 -59.84 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.71 -58.58 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.1 mt -48.42 -39.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.5 m -60.8 -55.34 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.37 -42.87 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.9 m -57.12 -32.56 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.668 ' O ' HD22 ' A' ' 453' ' ' LEU . 91.9 m-85 -119.99 31.36 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -96.56 -40.02 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 449' ' ' ARG . 4.3 ptm85 -45.26 -34.32 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.2 m-85 -70.98 -42.32 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 167.31 -171.49 42.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.51 110.18 3.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -128.04 -177.42 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -142.91 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.467 HG12 ' CE3' ' A' ' 457' ' ' TRP . 17.2 t -92.54 132.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -146.68 112.86 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 1.4 p90 -100.63 158.88 31.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.13 -66.1 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.25 90.45 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -119.06 -41.58 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -82.78 -42.51 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.08 -48.43 76.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 66.3 m -63.94 137.98 58.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -93.25 42.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 5.4 m -155.42 148.53 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -90.07 36.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -115.34 94.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.709 0.766 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.34 166.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.1 Cg_exo -45.08 170.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -47.68 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -178.45 64.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 26.7 p90 -174.22 133.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.38 178.08 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.468 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 87.7 m-85 -121.95 127.09 49.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 476' ' ' LEU . 83.5 mt -99.25 144.27 28.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 428' ' ' LYS . 46.1 mt -130.45 96.14 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.526 ' CE1' HD22 ' A' ' 486' ' ' LEU . 90.9 m-85 -73.84 131.36 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.88 -56.03 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.1 mt-10 -90.34 113.67 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 481' ' ' SER . 35.2 mt-10 -37.71 -47.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 482' ' ' SER . 14.9 m -36.18 -58.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 481' ' ' SER . 19.7 m -34.53 -50.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 427' ' ' ARG . 90.0 t -43.24 -58.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -54.37 -60.77 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.38 -39.02 9.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.7 tp -64.79 -57.21 9.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.539 HG23 HD11 ' A' ' 497' ' ' LEU . 54.0 mt -48.35 -59.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.56 -43.36 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.48 80.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.42 115.93 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.7 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -143.88 138.89 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -117.52 -73.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -126.85 69.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.36 -27.4 3.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.44 155.46 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.539 HD11 HG23 ' A' ' 487' ' ' ILE . 32.7 mt -92.5 169.13 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.95 116.19 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 511' ' ' VAL . 18.8 tp -111.32 137.24 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 29.9 p -84.62 132.47 34.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -130.74 114.52 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 81.5 p -87.21 130.15 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 t -120.95 147.34 46.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.48 -22.93 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -112.03 -53.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.27 143.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.27 172.7 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.05 108.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -106.05 129.65 24.23 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -77.94 84.41 2.0 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 499' ' ' LEU . 24.8 m -78.51 140.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.75 111.92 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.421 HG23 ' CG1' ' A' ' 429' ' ' VAL . 19.0 mm -100.56 114.8 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -120.23 90.48 44.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.7 108.35 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 429' ' ' VAL . 87.7 mtm-85 -77.87 -52.67 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.688 ' CG ' HD21 ' A' ' 476' ' ' LEU . 67.4 mttt -45.32 142.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 427' ' ' ARG . 48.5 t -137.25 117.48 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -80.48 109.38 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.07 126.28 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.42 130.86 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 118.65 12.54 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.56 143.94 98.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.2 Cg_exo -47.25 147.05 6.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.81 0.97 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.757 2.305 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -131.86 33.11 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 435' ' ' PRO . 19.0 tt -110.17 151.24 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.93 178.98 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.3 tt0 -52.94 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 440' ' ' GLU . 20.4 t70 -34.13 -65.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 441' ' ' ASP . 13.3 mt-10 -35.17 -54.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.23 -60.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 448' ' ' ARG . 83.8 m -45.51 -45.87 13.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.14 -39.39 82.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.1 m -65.16 -24.59 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -122.06 19.83 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 444' ' ' THR . 7.0 tpt180 -86.89 -31.59 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.566 ' HD2' ' CD1' ' A' ' 450' ' ' PHE . 0.1 OUTLIER -48.56 -33.9 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 449' ' ' ARG . 84.8 m-85 -73.86 -31.66 63.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 153.35 -168.65 32.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.37 125.25 8.96 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.84 174.39 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 476' ' ' LEU . 12.8 p -137.06 129.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.767 HG13 HD23 ' A' ' 475' ' ' LEU . 3.1 t -91.31 149.14 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -155.58 112.26 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 3.5 p90 -99.22 158.34 32.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.539 0.685 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.8 -53.6 4.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.79 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.581 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 11.1 tmtt? -125.2 -54.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.38 94.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.11 -47.51 15.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 5.5 m -82.06 122.33 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 464' ' ' LYS . 2.2 mppt? -76.18 -41.37 49.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 464' ' ' LYS . 6.6 t -36.88 133.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -89.24 44.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.19 95.77 18.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.31 161.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.517 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 76.7 Cg_exo -49.3 178.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -39.34 -66.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.48 66.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -171.43 130.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -152.34 172.99 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -118.1 119.59 35.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.767 HD23 HG13 ' A' ' 455' ' ' VAL . 21.2 mt -93.83 142.51 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 428' ' ' LYS . 23.6 mt -126.45 97.97 5.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.98 126.41 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -49.23 -61.07 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.33 123.19 38.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -44.88 -46.71 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.0 p -39.01 -45.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.1 t -45.83 -51.88 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.96 -50.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -54.08 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -42.95 -45.56 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.559 HD11 HD22 ' A' ' 499' ' ' LEU . 33.1 tp -58.14 -59.2 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.426 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.6 mt -46.72 -52.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -51.93 -44.91 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.22 73.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 490' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 499' ' ' LEU . 38.3 m -57.22 136.03 56.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.36 163.51 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.76 119.67 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -131.53 87.28 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.9 t70 69.45 43.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 88.52 -38.8 3.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -73.49 139.18 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 487' ' ' ILE . 55.2 mt -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -146.02 128.99 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.81 150.16 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.2 p -97.82 131.53 44.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.6 m -139.45 106.48 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.1 t -87.93 146.72 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.2 m -127.59 159.23 67.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.27 -21.5 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.7 p -114.16 -63.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 507' ' ' LYS . 17.8 mm -78.21 150.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 506' ' ' ILE . 34.6 mmtt -86.12 172.1 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.2 p-10 -38.19 104.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 126.84 33.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 510' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 63.1 Cg_endo -78.17 74.99 5.08 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.0 m -61.54 152.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -88.45 103.44 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.5 mm -89.11 111.45 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -122.69 92.99 48.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.06 141.53 9.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 35.3 t-105 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -91.73 -46.16 8.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 516' ' ' TRP . 3.1 ttmp? -65.18 131.81 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 513' ' ' ILE . 84.9 t -121.75 132.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.99 105.28 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.766 HG22 HD12 ' A' ' 513' ' ' ILE . 46.7 t -105.2 121.22 56.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.71 150.15 18.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.4 ' O ' HG12 ' A' ' 511' ' ' VAL . . . 87.5 37.07 8.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.7 142.05 45.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.675 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.8 141.68 15.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.99 3.8 7.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -132.96 30.81 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.0 tt -110.53 138.61 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 440' ' ' GLU . 6.8 t70 -100.83 169.48 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 439' ' ' ASP . 38.0 tt0 -48.13 -70.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 440' ' ' GLU . 40.2 t0 -34.25 -52.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' CB ' HG13 ' A' ' 438' ' ' ILE . 22.1 mm-40 -49.14 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 63.6 mt -42.25 -48.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 448' ' ' ARG . 2.5 m -54.1 -57.64 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.45 -38.3 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.4 m -61.24 -28.42 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -121.56 28.82 7.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.407 ' HG2' HG22 ' A' ' 444' ' ' THR . 1.3 mmm180 -91.02 -30.07 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -63.37 -10.32 16.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 486' ' ' LEU . 69.4 m-85 -96.28 -30.31 13.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 151.61 -171.85 31.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 124.53 8.18 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -146.96 179.52 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.2 p -141.54 138.45 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.43 HG12 ' CE3' ' A' ' 457' ' ' TRP . 12.1 t -91.81 139.52 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -155.21 108.05 2.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.9 p90 -100.15 156.93 34.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.8 -0.29 6.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -123.47 36.35 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -86.91 -64.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.29 -56.5 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -49.24 -57.24 7.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 42.4 t -84.0 98.52 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -41.07 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 67.6 m -55.23 160.34 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -89.35 30.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -103.08 142.16 23.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.15 169.28 19.32 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 472' ' ' TYR . 58.3 Cg_endo -71.51 -179.17 3.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 36.5 mtmt -33.73 -60.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -176.13 72.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 469' ' ' PRO . 5.8 p90 -174.97 130.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -148.65 163.39 37.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -114.65 123.89 50.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 31.2 mt -103.89 115.34 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 428' ' ' LYS . 86.7 mt -96.53 95.32 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -73.98 115.72 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -50.19 -49.08 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 115.44 28.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.28 -42.03 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 482' ' ' SER . 8.3 t -55.34 -52.58 63.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 481' ' ' SER . 3.7 t -36.26 -42.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.82 -61.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -40.98 -49.14 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.92 -47.13 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 450' ' ' PHE . 12.7 tp -52.29 -58.37 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 497' ' ' LEU . 82.9 mt -44.97 -45.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.94 -50.48 61.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.39 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 71.5 m -48.28 120.56 3.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.64 161.81 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.97 121.66 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -134.33 97.05 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.64 40.4 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.46 -38.55 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -67.83 168.12 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.536 ' CD1' HG23 ' A' ' 487' ' ' ILE . 97.9 mt -120.85 154.06 36.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.433 ' CE2' ' HG3' ' A' ' 512' ' ' GLN . 96.5 m-85 -154.31 136.55 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.0 tp -119.95 138.4 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.11 129.93 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.9 m -136.83 112.0 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.56 137.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 23.6 p -116.51 155.34 48.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 -20.29 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -111.12 -58.06 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 507' ' ' LYS . 40.1 mm -82.79 154.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 9.5 mmtm -90.56 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 13.2 m-20 -34.21 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -109.4 113.89 57.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.1 93.5 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 433' ' ' GLY . 16.8 m -79.69 161.94 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 512' ' ' GLN . . . . . 0.433 ' HG3' ' CE2' ' A' ' 498' ' ' TYR . 7.6 tt0 -97.94 99.23 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.766 HD12 HG22 ' A' ' 431' ' ' VAL . 29.1 mm -81.95 123.4 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -130.18 90.37 42.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.19 92.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 48.9 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.657 ' HA ' HG21 ' A' ' 483' ' ' VAL . 49.5 mtm180 -82.44 -62.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.505 ' HE3' ' CD1' ' A' ' 516' ' ' TRP . 13.3 ttpt -41.95 124.86 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.735 ' CG1' HG23 ' A' ' 513' ' ' ILE . 66.5 t -116.4 141.14 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -101.42 106.83 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 513' ' ' ILE . 18.3 t -106.4 117.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.91 128.88 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.79 35.0 1.93 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.6 mt -82.53 142.22 46.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.3 Cg_exo -46.59 148.47 3.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.56 -0.41 10.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -132.75 36.6 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.5 tt -110.82 139.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -104.39 -178.14 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 441' ' ' ASP . 13.7 tt0 -55.56 -68.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.3 m-20 -36.38 -64.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 441' ' ' ASP . 15.8 mt-10 -35.91 -62.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 443' ' ' ILE . . . . . 0.408 ' CG2' HD21 ' A' ' 475' ' ' LEU . 64.2 mt -45.38 -46.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 444' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 448' ' ' ARG . 7.1 m -53.58 -60.51 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.82 -39.78 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -32.26 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' PHE . . . . . 0.58 ' O ' HD22 ' A' ' 453' ' ' LEU . 87.6 m-85 -122.31 27.03 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 444' ' ' THR . 12.0 tpt180 -91.44 -44.85 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -39.9 -49.57 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.3 m-85 -53.89 -40.34 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 158.6 156.32 7.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.79 122.78 4.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -140.57 -175.69 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -140.28 132.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.6 t -88.22 129.26 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -146.04 108.18 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 460' ' ' LYS . 4.2 p90 -100.14 156.62 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.509 0.671 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.94 -23.41 22.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 50.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 457' ' ' TRP . 27.4 tptt -104.58 -54.26 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -54.36 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -43.34 -60.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.8 t -67.8 116.44 8.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 68.41 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.8 t -167.69 160.31 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -87.66 40.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -122.19 141.57 34.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.482 ' CG ' ' O ' ' A' ' 438' ' ' ILE . 62.6 Cg_endo -79.65 169.36 18.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 58.6 Cg_endo -71.92 179.66 4.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.748 2.299 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 13.0 mptt -33.87 -65.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -169.06 72.18 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 37.4 p90 -174.58 121.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -145.23 169.52 18.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.78 121.16 41.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 475' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 431' ' ' VAL . 23.5 mt -99.71 121.89 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 31.2 mt -103.12 90.39 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 486' ' ' LEU . 69.9 m-85 -67.62 98.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 477' ' ' PHE . 16.2 tt0 -35.19 -56.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.17 108.29 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.12 -43.86 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 11.4 t -38.94 -53.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.3 m -44.06 -53.34 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 427' ' ' ARG . 72.3 t -38.27 -59.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -48.18 -63.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.54 -49.2 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 25.2 tp -53.8 -57.79 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 69.8 mt -48.32 -55.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -46.1 -44.66 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.35 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 490' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 499' ' ' LEU . 65.8 m -62.19 104.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.3 162.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -126.9 140.07 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -117.13 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.97 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 85.14 -26.26 5.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -101.62 155.25 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 14.2 mt -101.25 174.95 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 89.8 m-85 -160.17 125.31 3.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.51 147.58 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 500' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 509' ' ' LYS . 26.3 p -96.49 131.8 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 501' ' ' VAL . 20.9 m -138.86 121.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.6 t -101.72 139.66 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.3 p -129.44 164.17 41.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -23.37 6.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.1 p -113.09 -69.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.554 HG21 ' HG3' ' A' ' 509' ' ' LYS . 37.8 mm -74.9 146.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.3 mmtm -88.62 169.02 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.9 m-20 -34.4 108.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 509' ' ' LYS . . . . . 0.554 ' HG3' HG21 ' A' ' 506' ' ' ILE . 9.2 mmmt -106.87 132.32 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 510' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 60.7 Cg_endo -78.9 61.88 8.25 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.89 141.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.59 119.05 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.735 HG23 ' CG1' ' A' ' 429' ' ' VAL . 26.3 mm -105.0 107.58 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 514' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 516' ' ' TRP . 37.6 ttp180 -120.33 94.45 48.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.76 90.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.505 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 58.0 t-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 427' ' ' ARG . . . . . 0.575 ' HA ' HG21 ' A' ' 483' ' ' VAL . 36.5 mtp180 -45.34 -38.62 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 476' ' ' LEU . 2.3 tppp? -56.92 131.24 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 429' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.5 t -132.99 138.48 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -102.66 125.86 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' VAL . . . . . 0.545 HG22 ' CD1' ' A' ' 513' ' ' ILE . 48.2 t -121.53 123.68 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -120.52 155.32 16.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 82.37 42.08 8.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.4 mt -85.8 142.64 36.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.5 Cg_exo -47.08 147.21 5.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.08 -0.57 10.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.83 39.32 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 435' ' ' PRO . 13.5 tt -116.06 128.78 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 442' ' ' GLU . 1.8 p-10 -93.15 177.75 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 441' ' ' ASP . 48.0 tt0 -54.31 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.3 t0 -34.01 -52.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.479 ' CB ' HG13 ' A' ' 438' ' ' ILE . 6.8 mm-40 -47.28 -58.3 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.4 mt -47.63 -51.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 10.8 m -47.55 -60.3 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -47.82 -42.6 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 5.1 t -55.82 -37.4 68.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -120.0 33.56 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -93.4 -45.48 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 6.7 ptp180 -38.53 -45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 79.9 m-85 -58.01 -42.83 86.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.78 -166.38 36.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.81 126.97 9.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -147.72 -179.81 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.4 p -137.52 140.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.465 HG12 ' CE3' ' A' ' 457' ' ' TRP . 21.8 t -97.86 133.05 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -151.54 112.13 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.478 ' CE2' ' HD2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.16 144.59 28.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.92 131.8 13.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 62.33 41.54 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 26.7 tttp -74.7 -52.91 10.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -48.25 -59.93 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 463' ' ' SER . 6.0 mm-40 -53.09 -53.5 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 462' ' ' GLU . 2.3 m -36.03 118.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -88.04 42.24 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 20.9 m -164.25 164.09 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -101.25 42.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -131.68 95.61 22.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' PRO . . . . . 0.406 ' HA ' ' CD1' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -44.48 170.13 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' PRO . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.3 Cg_exo -46.69 178.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.52 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.16 67.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 41.1 p90 -171.24 130.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 110.938 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -149.17 170.94 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.98 128.59 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 20.3 mt -103.29 146.65 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' LEU . . . . . 0.444 ' CD2' ' HD3' ' A' ' 428' ' ' LYS . 34.1 mt -128.07 100.49 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -80.46 131.17 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -69.0 -55.77 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 480' ' ' GLU . 24.8 mt-10 -79.12 99.91 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 479' ' ' GLU . 35.8 mt-10 -35.31 -43.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 481' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 482' ' ' SER . 24.5 t -48.27 -57.7 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 481' ' ' SER . 8.5 t -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' A' ' 427' ' ' ARG . 84.0 t -44.83 -56.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -53.32 -53.48 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.41 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 18.5 tp -52.0 -54.76 25.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 67.1 mt -47.43 -51.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.46 -45.87 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.06 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 42.2 m -58.18 163.37 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 32.7 mt -115.88 139.21 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.86 130.32 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -110.06 -71.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -122.6 50.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.69 18.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.09 153.18 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 19.2 mt -94.17 171.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 498' ' ' TYR . . . . . 0.481 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 44.5 m-85 -159.66 126.42 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 511' ' ' VAL . 23.5 tp -121.51 130.41 53.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 88.8 m -77.72 136.86 38.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 501' ' ' VAL . 33.5 m -137.3 111.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 68.5 m -87.49 125.99 34.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.8 m -119.93 155.01 55.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -21.0 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 46.9 p -120.9 -55.6 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 509' ' ' LYS . 37.9 mm -88.39 102.59 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.5 mmtp -52.12 173.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 507' ' ' LYS . 20.7 p-10 -34.56 107.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 509' ' ' LYS . . . . . 0.481 ' HD2' ' CG2' ' A' ' 506' ' ' ILE . 0.2 OUTLIER -115.61 126.04 28.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.97 93.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 499' ' ' LEU . 15.8 m -83.86 141.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -74.8 111.65 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 431' ' ' VAL . 31.0 mm -99.77 104.32 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -117.71 94.01 44.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.63 90.44 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 77.6 p -172.54 140.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 93.0 p -117.16 112.44 20.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -137.51 -47.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 424' ' ' SER . 33.0 t -102.35 -45.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 423' ' ' SER . 27.3 t -36.6 -47.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 149.24 74.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 18.5 p -86.81 121.32 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 428' ' ' LYS . 43.9 mtt180 -70.41 -34.33 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.529 ' HE2' ' CG ' ' A' ' 516' ' ' TRP . 6.1 ttpm? -37.52 148.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 513' ' ' ILE . 30.2 t -139.31 128.15 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -86.98 126.97 35.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 475' ' ' LEU . 3.3 t -121.68 129.53 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.74 116.61 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 132.09 4.38 3.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 56.8 mt -50.32 143.19 13.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.635 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.1 Cg_exo -47.33 150.3 3.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.95 -2.75 12.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -133.73 39.7 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.3 tt -112.4 159.9 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 438' ' ' ILE . 2.7 p30 -122.33 -176.98 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 441' ' ' ASP . 59.0 tt0 -58.39 -73.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.0 t0 -35.74 -60.38 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.31 -53.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.19 -41.54 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 31.9 m -59.02 -59.74 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.31 -40.92 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m -59.37 -27.49 66.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.495 ' HB2' HD11 ' A' ' 453' ' ' LEU . 79.1 m-85 -121.25 17.74 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -79.04 -45.23 20.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -39.96 -50.65 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 65.1 m-85 -54.84 -39.11 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 153.79 161.92 10.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.58 124.48 6.76 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -145.84 177.06 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -138.77 138.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 7.8 t -97.18 134.62 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -157.57 113.12 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CZ2' ' HG2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.55 157.27 34.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.526 0.679 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -24.13 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -119.11 55.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 6.2 tmtt? -110.33 -45.52 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -86.04 -62.29 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -43.92 -50.07 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 71.2 m -97.55 -175.37 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 465' ' ' SER . 32.0 mtmm -114.95 -50.58 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 464' ' ' LYS . 5.0 m -36.43 130.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -98.69 41.79 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -123.82 90.72 50.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.54 103.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.585 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -43.5 146.37 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm 41.08 26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 50.47 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 3.9 p90 -175.23 141.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 457' ' ' TRP . . . -163.02 175.36 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.16 136.59 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 431' ' ' VAL . 7.8 mt -109.61 128.62 55.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 15.6 mt -115.29 90.88 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.425 ' CZ ' HD13 ' A' ' 453' ' ' LEU . 64.8 m-85 -68.28 132.73 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -48.41 -48.77 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -107.46 152.7 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.63 -41.72 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.6 m -40.75 -59.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.2 p -38.88 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.6 t -44.55 -55.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -49.83 -53.57 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.95 -41.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.3 tp -57.02 -57.26 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.475 HG23 HD11 ' A' ' 497' ' ' LEU . 57.3 mt -45.53 -52.45 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -48.35 -49.43 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.09 84.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.14 122.62 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.75 161.48 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.38 117.79 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -129.26 88.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.46 45.66 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 89.12 -41.06 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -68.74 145.31 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 487' ' ' ILE . 60.7 mt -106.38 149.22 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -147.75 132.79 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 21.9 tp -116.49 158.89 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 78.7 m -103.25 131.26 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 501' ' ' VAL . 6.5 m -131.5 107.46 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 87.3 p -79.3 141.76 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 24.7 m -129.98 150.7 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.62 -26.5 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.1 p -109.89 -64.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.6 mm -78.19 145.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.4 mmtp -80.33 168.21 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.7 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -95.63 133.64 25.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.3 Cg_endo -79.88 80.17 3.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.7 m -69.69 151.62 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -87.6 103.21 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.471 HG23 ' CG1' ' A' ' 429' ' ' VAL . 23.0 mm -96.64 107.75 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -123.35 93.49 47.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.7 Cg_exo -46.44 101.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.529 ' CG ' ' HE2' ' A' ' 428' ' ' LYS . 72.4 t-105 -34.87 122.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -155.2 155.57 34.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.88 110.99 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 80.4 p -51.9 111.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -157.0 157.53 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.0 m -115.83 94.0 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 522' ' ' ASP . 0.0 OUTLIER -156.05 132.63 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -104.52 145.14 30.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 7.9 p -158.14 129.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 14.1 ptm -107.08 119.78 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -171.42 166.74 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.8 p -129.47 153.61 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -88.5 163.07 32.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.99 100.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 3.7 m -45.95 -59.36 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 36.5 m -119.85 172.96 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 18.3 m -74.76 129.66 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 t -56.07 -62.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -149.54 172.79 29.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 39.0 m -106.78 141.26 38.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.806 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 51.8 p -142.73 157.31 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 169.28 175.13 38.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.6 m -89.38 171.87 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -98.57 0.59 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.533 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 17.4 tttt -96.31 126.93 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.81 126.48 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -84.88 134.46 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 475' ' ' LEU . 22.6 t -126.87 124.27 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -121.59 161.67 15.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.73 25.29 56.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.97 146.74 87.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.598 ' O ' HG22 ' A' ' 438' ' ' ILE . 61.0 Cg_endo -75.02 146.94 33.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -79.37 11.66 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' ASP . . . . . 0.45 ' CB ' ' OG1' ' A' ' 505' ' ' THR . 3.9 m-20 -125.35 33.71 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.4 tt -127.4 147.37 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -114.4 -177.16 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 25.7 tt0 -52.73 -71.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 21.9 t70 -35.5 -66.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.463 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.3 mt-10 -35.26 -67.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 79.8 mt -42.49 -45.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 448' ' ' ARG . 16.3 m -58.3 -57.22 13.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.9 -29.32 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 47.9 t -69.59 -25.04 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.463 ' O ' HD22 ' A' ' 453' ' ' LEU . 36.6 m-85 -126.38 29.55 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.519 ' HG2' HG22 ' A' ' 444' ' ' THR . 9.1 mmm180 -89.86 -43.74 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -43.1 -30.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.3 m-85 -75.08 -44.43 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 160.82 159.88 10.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.22 124.99 6.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.59 -177.09 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 476' ' ' LEU . 8.1 p -146.28 138.38 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.3 143.1 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -159.62 109.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 14.2 p90 -99.98 148.05 34.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.68 140.81 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.618 2.212 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 58.6 50.13 9.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -96.63 -24.49 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.45 67.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.37 29.81 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 40.0 t -114.02 155.75 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -117.76 -52.07 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 77.6 p -58.14 153.71 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -92.29 40.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.28 142.67 46.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.76 166.56 23.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.578 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 74.8 Cg_exo -48.39 178.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.0 OUTLIER -37.03 -63.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.12 71.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 28.6 p90 -174.83 137.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -156.0 160.98 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 42.1 m-85 -112.99 127.96 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 431' ' ' VAL . 35.8 mt -101.94 138.84 38.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.498 ' HB2' HG13 ' A' ' 454' ' ' VAL . 38.7 mt -120.28 82.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' HD22 ' A' ' 486' ' ' LEU . 52.5 m-85 -58.14 120.17 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -45.6 -52.52 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -101.44 137.22 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.6 -45.4 94.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' SER . 46.2 m -47.03 -53.37 12.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' SER . 12.8 t -37.49 -43.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.32 -56.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -44.96 -42.35 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.18 92.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' A' ' 450' ' ' PHE . 27.0 tp -55.77 -53.63 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 60.3 mt -49.13 -36.32 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.99 -37.26 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 57.8 m -71.06 116.25 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 48.2 mt -55.01 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -154.27 141.85 19.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.19 -72.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -126.57 69.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 80.66 -19.18 7.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -103.13 148.26 25.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 54.7 mt -97.27 166.48 11.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 91.3 m-85 -159.1 141.97 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 24.1 tp -126.22 147.94 49.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.82 136.34 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 501' ' ' VAL . 26.7 m -138.44 124.71 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.0 p -94.46 146.82 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.6 t -131.8 146.33 61.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.49 -22.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 437' ' ' ASP . 43.1 p -116.89 -51.63 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 507' ' ' LYS . 11.1 mm -83.34 159.32 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 506' ' ' ILE . 16.5 mmtm -97.14 165.89 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 507' ' ' LYS . 21.5 p-10 -35.61 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.23 133.91 20.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.24 99.21 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.45 142.07 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -84.71 109.79 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.3 119.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -124.62 91.44 49.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.31 131.07 22.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.486 ' CB ' ' O ' ' A' ' 428' ' ' LYS . 22.0 t-105 -74.8 174.36 9.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 518' ' ' LEU . 5.0 t-20 -163.69 122.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 518' ' ' LEU . 3.3 pp -35.99 142.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 71.3 m -106.65 84.45 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -137.78 152.94 49.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.4 m -106.64 114.37 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.32 21.38 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -77.57 150.77 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 525' ' ' MET . 6.5 p -160.97 136.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 524' ' ' VAL . 8.1 ttm -36.05 121.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -48.19 130.74 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.5 t -134.23 162.4 32.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 108.89 -158.26 14.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.06 105.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 0.0 112.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.4 t -62.12 162.18 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.8 t -51.34 151.95 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.7 t -95.15 -50.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 13.5 t -92.58 -58.35 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -157.76 -163.44 12.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 58.9 m -147.51 157.92 43.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 89.0 p -132.37 127.4 35.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 118.0 161.86 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 74.3 m -71.38 176.48 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 483' ' ' VAL . 71.3 mtm180 -84.5 -56.4 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HA ' HD23 ' A' ' 476' ' ' LEU . 26.6 tttt -35.67 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 427' ' ' ARG . 46.9 t -146.34 120.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -81.01 120.05 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.552 HG22 HD12 ' A' ' 513' ' ' ILE . 17.6 t -121.04 117.93 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -122.21 131.23 8.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.18 37.28 1.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.18 140.68 36.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.472 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.76 147.06 7.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.01 2.49 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 31.71 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.7 tt -109.0 140.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.76 -176.8 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.79 -61.49 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 442' ' ' GLU . 11.2 t70 -42.19 -66.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 441' ' ' ASP . 48.4 mm-40 -35.13 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.4 mt -48.45 -45.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 18.0 m -62.73 -54.71 35.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.68 -25.87 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 14.5 m -72.28 -23.11 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.45 ' HB2' HD11 ' A' ' 453' ' ' LEU . 51.9 m-85 -122.53 13.92 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.37 -42.37 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -43.79 -32.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 85.5 m-85 -74.63 -45.69 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 158.47 166.32 17.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.79 125.58 8.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -146.86 -176.41 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.1 p -149.28 140.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 10.0 t -96.38 142.55 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -156.21 108.99 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 9.8 p90 -98.73 150.33 36.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.29 131.51 11.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 1.1 m80 61.37 47.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.67 -60.78 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -45.7 -59.77 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -47.85 -46.09 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 11.7 m -77.44 155.29 31.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 465' ' ' SER . 63.3 mttt -115.08 -58.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 464' ' ' LYS . 21.9 m -36.17 152.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -95.45 38.38 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -123.35 91.98 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.577 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.81 165.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.5 Cg_exo -46.95 179.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 469' ' ' PRO . 19.2 mmmt -33.64 -59.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.86 60.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 16.8 p90 -159.66 130.32 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.73 168.42 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.532 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 58.6 m-85 -118.23 123.53 45.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.42 134.41 42.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 428' ' ' LYS . 19.7 mt -119.88 92.5 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 486' ' ' LEU . 90.7 m-85 -66.58 115.37 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.72 -48.03 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.2 mm-40 -97.29 103.36 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 479' ' ' GLU . 50.2 mt-10 -37.14 -42.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.6 m -44.77 -47.88 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 64.1 m -45.04 -55.14 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 427' ' ' ARG . 94.1 t -38.83 -52.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -49.65 -59.3 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.13 50.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.458 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 36.3 tp -53.07 -56.19 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.5 mt -47.65 -47.77 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.98 -45.14 71.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.33 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.7 121.57 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.64 157.28 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -107.07 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.61 86.73 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 13.6 t0 64.64 41.9 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 95.72 -36.79 3.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -72.99 155.21 40.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 487' ' ' ILE . 40.6 mt -114.42 144.44 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -141.17 139.55 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 486' ' ' LEU . 26.2 tp -121.81 149.93 42.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.1 m -101.82 133.17 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 501' ' ' VAL . 29.7 m -139.05 118.4 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 2.0 t -99.91 133.65 43.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 157.32 40.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.3 -19.53 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 61.2 p -118.76 -47.38 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.8 mm -88.53 146.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.6 mmtm -87.55 170.65 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 507' ' ' LYS . 1.1 m-20 -36.71 105.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -108.0 130.36 22.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.2 84.71 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.399 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.92 139.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -73.69 106.34 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.552 HD12 HG22 ' A' ' 431' ' ' VAL . 15.3 mm -100.37 97.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.2 ttt180 -117.42 93.65 43.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.87 89.76 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 514' ' ' ARG . 37.0 t-105 -54.86 126.97 26.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -115.01 163.29 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 45.9 tp -109.52 121.12 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 7.3 t -60.85 128.39 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -130.58 139.83 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 2.2 m -97.4 88.14 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.48 140.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -144.12 160.03 41.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 524' ' ' VAL . 10.7 p -152.45 117.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.17 107.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.14 148.07 26.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.5 m -49.3 -50.48 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 57.96 87.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.95 146.75 26.24 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 71.8 p -127.75 158.21 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 3.4 m -80.16 115.2 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 54.8 p 46.88 43.75 13.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.7 t -138.34 125.54 21.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -128.94 -56.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 t -129.15 106.85 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 5.0 m -117.94 85.77 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 83.96 -141.49 20.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.1 t -132.79 160.9 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.423 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 72.3 mtm180 -76.56 -40.28 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -62.98 106.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.453 HG11 HD21 ' A' ' 486' ' ' LEU . 62.1 t -105.09 127.42 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.41 118.93 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.01 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.75 19.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.31 20.79 24.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 41.4 mt -76.18 142.34 71.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.511 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.7 Cg_exo -47.63 147.27 6.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.02 3.44 7.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.69 21.87 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -96.16 131.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.53 179.13 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 27.3 tt0 -51.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 17.9 t70 -34.39 -62.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.434 ' CB ' HG13 ' A' ' 438' ' ' ILE . 16.2 mt-10 -41.23 -65.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.535 HD13 HG11 ' A' ' 455' ' ' VAL . 69.0 mt -43.28 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.2 m -48.93 -56.46 8.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.5 -34.51 49.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' SER . . . . . 0.521 ' OG ' HG12 ' A' ' 501' ' ' VAL . 1.5 t -68.61 -20.95 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -121.22 8.7 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -75.75 -5.38 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.24 6.86 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 486' ' ' LEU . 65.5 m-85 -119.67 -29.57 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 143.65 165.08 10.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.58 122.76 5.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.07 -176.57 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 454' ' ' VAL . 8.7 p -147.57 130.04 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.535 HG11 HD13 ' A' ' 443' ' ' ILE . 3.1 t -92.46 123.65 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.31 100.86 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 18.3 p90 -93.61 158.55 36.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 118.53 2.21 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 60.61 50.05 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.489 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 12.1 tmtt? -84.96 -53.9 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.23 94.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 25.2 m -65.51 137.34 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -84.21 -39.82 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 42.2 t -72.06 140.23 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -88.87 41.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -115.53 95.11 42.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.36 166.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.266 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 470' ' ' LYS . 59.3 Cg_endo -72.82 -173.94 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 469' ' ' PRO . 0.0 OUTLIER -32.42 -69.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -175.21 61.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 6.6 p90 -156.0 123.83 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -142.48 164.1 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.06 111.06 19.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 55.9 mt -84.14 137.38 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 50.5 mt -124.89 77.65 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -54.03 138.67 36.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.73 -52.56 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.91 151.47 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -74.33 -39.78 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 75.0 m -44.52 -51.83 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 83.7 p -45.07 -41.2 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 92.7 t -49.41 -58.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.58 -45.62 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 450' ' ' PHE . 15.0 tp -52.88 -46.25 67.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.9 mt -67.13 -22.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -82.19 -34.06 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -86.45 -30.14 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 499' ' ' LEU . 68.5 m -82.65 117.53 22.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.75 178.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -145.24 139.86 27.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -115.81 -72.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.33 70.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.62 -22.7 6.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -102.77 153.27 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.57 171.11 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -156.71 118.63 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 511' ' ' VAL . 13.8 tp -110.47 143.82 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 25.2 p -96.7 129.99 44.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.521 HG12 ' OG ' ' A' ' 446' ' ' SER . 8.2 m -127.13 126.63 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 98.2 p -107.74 119.91 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.9 p -109.77 158.14 35.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.9 -24.44 3.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 81.2 p -109.1 -66.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 34.5 mm -73.74 149.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 26.1 mmtt -91.51 171.27 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.8 m-20 -34.13 106.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.825 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -115.03 133.48 22.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.36 90.75 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.547 HG23 HD11 ' A' ' 513' ' ' ILE . 3.0 m -76.24 132.9 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -68.86 106.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 511' ' ' VAL . 16.1 mm -101.7 110.2 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 516' ' ' TRP . 54.3 mtp180 -127.48 94.01 39.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.04 85.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 514' ' ' ARG . 32.3 t-105 -56.39 130.77 46.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -123.53 108.38 12.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 tp -90.24 134.62 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 56.0 m -61.47 116.43 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -139.94 106.8 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 3.6 m -80.32 118.83 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.83 136.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.77 129.43 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 526' ' ' ASP . 0.4 OUTLIER -91.59 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 525' ' ' MET . 17.0 m-20 -35.96 119.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.0 t -104.34 104.73 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -168.46 67.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 -25.16 9.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 15.1 m -157.4 151.21 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 58.4 m -108.11 131.66 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.5 m 39.9 48.17 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.3 m -67.14 119.43 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -174.38 -139.48 2.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 47.0 t -163.97 117.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.6 m -85.88 83.72 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -146.61 173.08 26.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.0 m -59.04 147.54 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 429' ' ' VAL . 13.0 mtm105 -95.11 -45.39 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -51.64 129.16 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.638 ' CG1' HG23 ' A' ' 513' ' ' ILE . 42.9 t -127.25 123.81 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -85.93 125.51 33.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.726 HG22 ' CD1' ' A' ' 513' ' ' ILE . 58.7 t -120.91 112.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.14 119.62 4.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.3 35.57 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.96 142.39 48.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.575 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.73 146.33 8.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.0 0.4 10.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.34 30.0 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.1 tt -110.08 142.72 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -108.96 -179.38 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.1 tt0 -51.68 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 21.5 t0 -36.65 -66.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.452 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.4 mt-10 -35.14 -61.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 82.2 mt -47.07 -44.24 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.425 HG22 ' HG2' ' A' ' 448' ' ' ARG . 5.0 m -59.45 -59.93 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.52 -27.65 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 54.8 m -69.63 -25.45 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -126.34 26.16 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 451' ' ' GLY . 9.0 mmt180 -83.4 -49.31 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 448' ' ' ARG . 7.0 ptm180 -38.32 -38.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 49.9 m-85 -66.53 -41.75 88.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 154.12 161.28 10.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.74 122.99 5.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' A' ' 477' ' ' PHE . 2.3 pt? -144.6 -175.57 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 476' ' ' LEU . 2.6 p -146.21 146.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.22 128.97 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -139.93 110.72 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ2' ' HE2' ' A' ' 460' ' ' LYS . 11.3 p90 -99.42 144.3 28.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 138.21 10.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' HIS . . . . . 0.48 ' CG ' ' OE2' ' A' ' 462' ' ' GLU . 10.6 m170 61.83 43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.554 ' HE2' ' CZ2' ' A' ' 457' ' ' TRP . 19.7 tptp -77.2 -44.57 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.92 -58.83 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.48 ' OE2' ' CG ' ' A' ' 459' ' ' HIS . 1.2 pt-20 -49.72 -25.34 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 31.6 t -93.76 159.33 15.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -104.52 -62.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 66.6 m -48.81 165.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 467' ' ' PHE . 13.3 p90 -96.89 -48.41 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 466' ' ' TYR . 13.9 m-85 -33.78 96.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' TYR . 72.9 Cg_exo -43.45 163.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.1 Cg_exo -46.19 177.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.3 mptt -34.08 -51.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.56 71.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 32.1 p90 -170.85 125.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.68 161.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.23 142.07 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 73.3 mt -112.01 137.14 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.566 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.0 mt -119.18 110.18 16.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.502 ' CE1' HD13 ' A' ' 453' ' ' LEU . 90.2 m-85 -91.23 115.44 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -49.96 -51.0 44.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -92.57 111.35 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -45.2 -43.04 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.7 t -44.71 -46.73 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 57.9 m -47.32 -41.79 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 427' ' ' ARG . 75.4 t -48.5 -46.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.14 -67.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -38.56 -37.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.8 tp -63.38 -60.57 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 497' ' ' LEU . 79.7 mt -45.99 -53.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -49.79 -45.57 49.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.03 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 49.2 m -58.09 121.98 11.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.47 156.23 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -107.37 129.6 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -147.35 106.93 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.91 48.55 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 62.8 29.25 73.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -132.39 156.28 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.631 HD11 HG23 ' A' ' 487' ' ' ILE . 29.7 mt -105.2 141.16 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -144.83 127.28 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.3 tp -114.97 149.37 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.4 m -98.46 132.57 43.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -134.97 115.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 19.5 p -83.87 153.33 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 m -142.11 149.91 53.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.85 -36.52 15.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 7.9 p -103.81 -45.58 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 mm -93.11 142.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 35.9 mmtt -85.42 172.54 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.4 p-10 -34.29 100.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 509' ' ' LYS . 0.1 OUTLIER -106.22 126.93 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.92 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 510' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.6 Cg_endo -78.56 105.86 2.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.7 m -92.51 155.28 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.49 102.56 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.726 ' CD1' HG22 ' A' ' 431' ' ' VAL . 46.9 mm -98.0 100.0 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -115.27 91.27 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.77 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -39.71 109.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -135.16 128.62 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.66 134.26 47.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.6 t -67.1 121.57 15.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.09 171.12 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 67.6 p -125.89 -52.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -156.67 129.99 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -95.47 131.45 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.29 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 33.5 mtt -131.42 140.91 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -165.43 158.03 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.4 t -119.75 143.65 47.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -177.92 95.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.06 112.64 3.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 16.7 m -94.58 113.12 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.1 t -174.15 143.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.8 m -40.84 -51.35 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.4 m -130.81 103.86 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 134.88 -165.02 24.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.3 m -123.89 150.59 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.2 t -128.61 42.09 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 179.29 152.58 10.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 8.1 m -93.43 170.68 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 480' ' ' GLU . 61.4 mtm-85 -59.73 -46.24 89.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.63 134.44 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 63.3 t -135.86 125.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -89.87 112.8 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 34.8 t -109.1 136.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -129.3 163.5 22.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 73.62 36.18 54.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.2 140.95 69.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.9 Cg_exo -47.88 144.69 11.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.03 3.56 7.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.677 2.252 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.98 32.97 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.9 tt -110.96 155.71 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.33 -175.09 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.7 tm-20 -58.04 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.7 t0 -36.15 -49.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.412 ' CB ' HG13 ' A' ' 438' ' ' ILE . 13.4 mm-40 -52.01 -60.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.2 mt -47.76 -37.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 448' ' ' ARG . 47.6 m -62.65 -59.48 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.41 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.2 m -56.6 -32.76 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.443 ' O ' HD22 ' A' ' 453' ' ' LEU . 68.4 m-85 -120.15 35.24 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.659 ' HG2' HG22 ' A' ' 444' ' ' THR . 8.7 mmm180 -96.72 -31.11 12.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -55.43 -18.87 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 71.3 m-85 -89.45 -41.62 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.65 -173.68 41.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.02 120.53 5.78 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -138.22 173.87 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 454' ' ' VAL . 12.2 p -131.41 128.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.48 118.97 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.01 98.3 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 15.5 p90 -99.65 148.95 35.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 136.59 8.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 62.36 51.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 33.4 tttp -108.92 -45.78 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.2 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.52 -46.8 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 28.2 t -47.23 144.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -87.86 -55.07 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 40.9 m -63.92 141.37 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -84.7 44.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.96 144.29 34.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.694 0.759 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.43 ' HA ' ' CE2' ' A' ' 457' ' ' TRP . 61.5 Cg_endo -77.18 169.63 21.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.579 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -73.89 -175.97 2.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 469' ' ' PRO . 5.7 mtpm? -33.28 -57.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.25 72.86 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 33.3 p90 -175.09 119.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -139.23 164.16 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.87 110.44 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.29 122.14 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 89.1 mt -106.61 84.63 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.52 123.58 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -47.91 -60.24 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.3 136.58 36.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.458 ' HG3' ' CG ' ' A' ' 427' ' ' ARG . 15.4 mt-10 -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.8 t -41.74 -54.69 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 56.1 p -42.97 -40.93 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.57 -58.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.79 -55.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.63 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.536 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 30.3 tp -60.35 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 497' ' ' LEU . 68.5 mt -43.16 -53.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.06 -36.77 65.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.67 114.05 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.04 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -149.25 140.97 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.67 -73.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -126.77 70.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.39 -29.75 3.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -98.87 153.95 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 487' ' ' ILE . 25.3 mt -94.84 167.08 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.419 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 95.8 m-85 -158.09 121.81 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.39 143.86 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -98.96 136.73 38.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.42 118.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -98.57 114.64 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.6 p -100.28 155.36 36.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.65 -20.69 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 18.7 p -119.42 -67.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.13 134.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -68.64 172.56 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.63 111.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -106.44 128.92 25.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.46 87.54 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 14.7 m -84.39 137.54 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -73.84 142.54 46.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.8 mm -123.99 119.92 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 516' ' ' TRP . 1.2 mmp_? -131.93 87.78 43.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 84.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 514' ' ' ARG . 45.4 t-105 -38.31 146.63 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -114.71 125.87 54.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.87 105.63 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 21.7 t -162.82 162.92 26.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -105.17 115.02 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.4 m -89.4 118.94 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.61 135.51 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -45.14 140.27 2.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.65 128.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.8 ttp -85.62 165.33 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 526' ' ' ASP . 1.6 p30 -91.16 170.23 10.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 10.1 t -162.28 117.06 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 177.53 68.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.86 152.05 31.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.383 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 9.2 t -132.75 142.94 49.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.4 p -164.31 146.39 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 30.0 m -60.42 146.81 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 74.4 p -114.43 146.53 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 125.23 -115.78 2.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 10.0 t 45.75 40.43 6.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 77.6 p -143.03 111.28 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 167.52 -53.72 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t -88.13 142.66 27.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.742 ' HA ' HG21 ' A' ' 483' ' ' VAL . 4.7 mtt85 -89.93 -42.54 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' A' ' 516' ' ' TRP . 17.6 tttp -45.83 146.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t -137.54 143.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -106.03 117.94 35.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 42.9 t -119.18 120.12 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.49 138.52 13.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.92 3.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.14 141.19 49.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -48.07 147.42 8.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.322 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 0.39 10.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -133.32 36.6 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.8 tt -120.77 133.13 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 439' ' ' ASP . 41.4 p30 -101.02 -174.83 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.0 tt0 -55.41 -69.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.4 m-20 -33.76 -64.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 442' ' ' GLU . 0.1 OUTLIER -42.12 -57.16 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 97.4 mt -50.0 -44.44 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 448' ' ' ARG . 35.4 m -55.94 -55.78 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.71 -36.64 57.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 68.1 m -62.37 -33.35 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 499' ' ' LEU . 64.3 m-85 -121.63 22.17 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 444' ' ' THR . 13.0 tpt180 -83.07 -45.8 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 448' ' ' ARG . 13.8 ptm180 -36.09 -50.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.63 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.2 m-85 -54.56 -47.66 72.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.31 160.88 12.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.09 128.0 11.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.05 -176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.9 p -144.42 134.86 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.98 137.39 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.49 109.92 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 7.7 p90 -100.03 158.05 32.74 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.74 152.65 53.27 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 13.5 m170 63.83 43.56 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 463' ' ' SER . 37.7 tttm -93.25 -53.38 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -40.26 -53.12 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -83.31 36.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 460' ' ' LYS . 10.3 t -114.71 144.78 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.98 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 80.4 p -117.65 153.58 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -88.71 34.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -111.4 98.27 39.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -42.74 165.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -46.04 176.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -40.54 -54.35 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.54 64.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 27.1 p90 -169.55 128.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.928 0.394 . . . . 0.0 110.93 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.94 175.2 10.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -122.31 137.84 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 23.6 mt -114.22 136.98 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 22.0 mt -117.45 90.2 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -60.32 -65.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.07 121.15 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -48.09 -37.48 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.4 m -49.48 -51.41 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 5.9 m -43.51 -43.88 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.742 HG21 ' HA ' ' A' ' 427' ' ' ARG . 91.4 t -48.52 -53.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -59.03 -52.99 63.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.72 50.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.63 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.2 tp -57.86 -51.88 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 497' ' ' LEU . 49.8 mt -56.36 -42.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.6 -41.17 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.82 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 80.5 m -67.47 112.34 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.67 178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -141.4 138.64 33.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -70.29 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -133.7 72.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.57 -28.12 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -102.65 153.16 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.871 HD11 HG23 ' A' ' 487' ' ' ILE . 16.0 mt -92.19 174.09 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 92.1 m-85 -159.93 119.99 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 511' ' ' VAL . 15.5 tp -111.16 135.77 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.7 m -86.59 136.56 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.5 m -134.5 117.45 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 78.1 p -100.01 124.76 45.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.1 m -113.09 158.85 36.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.11 -21.88 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 32.9 p -120.3 -53.19 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 49.5 mm -78.61 142.11 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 508' ' ' ASP . 1.2 mmmm -86.62 167.53 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.2 p-10 -35.12 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -103.08 127.02 30.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.27 84.8 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 499' ' ' LEU . 4.8 m -73.15 144.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -80.05 107.57 12.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.0 107.26 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -125.91 93.05 44.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.735 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 90.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 428' ' ' LYS . 45.7 t-105 -45.6 95.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 518' ' ' LEU . 9.8 p-10 -99.48 115.64 29.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 520' ' ' ASP . 1.1 tp -34.19 144.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 73.1 m -80.05 -48.02 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ASP . . . . . 0.484 ' HB2' HD23 ' A' ' 518' ' ' LEU . 4.3 t70 39.27 41.21 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 47.8 t -94.8 91.8 6.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -132.67 115.58 15.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.69 146.16 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 88.1 t -140.02 130.76 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 6.8 tpt -67.41 148.78 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.59 174.53 11.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.4 m -105.13 -53.07 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 51.26 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.95 -172.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.235 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 56.7 p -68.47 -53.65 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.5 m -73.2 -64.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 420' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 421' ' ' SER . 36.7 t -72.56 158.91 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' SER . 37.8 t -38.02 147.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 93.76 177.0 39.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 66.0 m -93.68 155.19 17.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 23.9 m -79.36 168.42 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -175.49 133.17 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.8 t -154.45 150.56 27.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 477' ' ' PHE . 6.3 mtp-105 -87.76 -35.11 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.444 ' CG ' HD21 ' A' ' 476' ' ' LEU . 20.4 mtmm -58.97 131.26 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.682 HG21 ' HE2' ' A' ' 477' ' ' PHE . 92.5 t -126.1 125.4 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -88.57 108.8 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 513' ' ' ILE . 19.2 t -106.21 118.66 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -117.13 171.29 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.35 77.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.08 143.6 35.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.14 142.96 8.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -80.1 14.5 1.91 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.721 2.28 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 438' ' ' ILE . 1.6 m-20 -132.77 -38.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 437' ' ' ASP . 15.4 tt -36.95 137.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.49 -174.83 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 441' ' ' ASP . 32.7 tt0 -61.28 -70.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 440' ' ' GLU . 0.5 OUTLIER -34.1 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 441' ' ' ASP . 9.9 mt-10 -34.47 -63.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 87.9 mt -39.91 -56.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.3 m -50.02 -54.85 17.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.14 -28.46 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.5 t -69.7 -20.76 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.33 12.83 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -69.7 -42.39 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -39.85 -49.87 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.3 m-85 -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.87 -167.75 39.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 123.72 7.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.3 pt? -144.65 -175.54 4.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.42 145.84 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.51 118.48 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.68 113.21 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 460' ' ' LYS . 3.0 p90 -99.89 159.1 30.8 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.86 -54.79 3.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 463' ' ' SER . 94.1 m-70 -97.97 74.78 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 457' ' ' TRP . 37.7 tttm -108.12 -55.3 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.87 -58.05 10.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.61 -49.82 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 459' ' ' HIS . 27.8 t -46.6 120.24 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -30.63 23.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 12.1 p -78.22 -179.08 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 467' ' ' PHE . 34.2 p90 -116.07 21.15 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' PHE . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 42.0 m-85 -107.86 94.93 13.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 466' ' ' TYR . 74.7 Cg_exo -43.19 165.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.4 Cg_exo -45.87 177.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.9 ttmm -35.51 -59.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -173.57 49.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 6.9 p90 -147.15 137.34 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.31 164.15 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -114.98 119.74 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.475 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.4 mt -96.46 135.27 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 428' ' ' LYS . 41.7 mt -116.6 95.81 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.682 ' HE2' HG21 ' A' ' 429' ' ' VAL . 82.3 m-85 -69.23 109.46 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -46.67 -41.48 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -102.7 118.55 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -49.64 -32.76 13.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' SER . 37.5 p -54.83 -55.84 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 481' ' ' SER . 23.1 m -37.53 -45.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.96 -52.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 485' ' ' ALA . 66.8 tp60 -55.62 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 484' ' ' GLN . . . -34.39 -39.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.527 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 17.5 tp -63.68 -57.34 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 497' ' ' LEU . 95.4 mt -48.38 -34.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.42 -36.37 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.29 -42.38 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.37 111.2 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.3 mt -44.39 164.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -118.21 122.74 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.28 87.82 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 20.3 t0 72.06 41.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.44 -35.04 3.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.56 163.26 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 487' ' ' ILE . 81.6 mt -119.74 151.72 38.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -148.33 146.99 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.3 tp -129.42 143.66 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.55 132.54 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 501' ' ' VAL . 12.4 m -144.02 121.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -110.54 130.3 55.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 506' ' ' ILE . 49.3 m -106.83 155.71 38.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.58 -19.51 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 41.2 p -116.18 -34.11 4.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 503' ' ' SER . 48.2 mm -105.06 144.55 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -87.1 164.9 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -33.82 110.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -117.44 128.75 25.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 92.59 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.615 HG23 HD11 ' A' ' 513' ' ' ILE . 11.7 m -80.67 132.46 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.92 103.67 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.615 HD11 HG23 ' A' ' 511' ' ' VAL . 6.8 mm -96.71 113.12 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 516' ' ' TRP . 7.8 mtp-105 -127.12 93.24 42.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.9 87.83 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 514' ' ' ARG . 53.9 t-105 -40.85 98.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 517' ' ' ASN . 2.5 p30 -73.67 108.04 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 518' ' ' LEU . 4.4 pp -61.66 131.29 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 4.0 m -81.23 79.82 7.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 518' ' ' LEU . 23.0 t0 -139.74 170.0 16.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 33.6 t -115.43 152.53 32.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -168.92 134.09 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -85.93 155.85 20.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 94.1 t -109.19 97.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.89 163.16 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.83 167.51 28.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.1 t -158.42 156.21 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 176.62 80.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.18 134.54 14.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 90.6 p -85.65 157.48 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 58.5 m -146.11 169.48 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 20.9 t -98.02 117.51 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 2.0 t -51.31 113.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -145.22 71.61 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 98.2 p -88.45 135.96 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 42.6 p -93.9 -58.43 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 146.15 -93.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 96.5 p -72.03 129.43 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -97.46 -31.42 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.539 ' HE2' HD21 ' A' ' 476' ' ' LEU . 3.4 tppp? -56.46 137.35 53.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.65 116.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -83.95 132.11 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 475' ' ' LEU . 26.9 t -125.7 121.45 59.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.27 117.6 2.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 128.91 19.59 1.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 26.9 mt -67.89 144.29 97.11 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.585 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.2 Cg_exo -46.5 148.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.265 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.63 0.39 10.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -134.84 37.46 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.8 tt -113.18 136.36 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -97.57 172.77 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 441' ' ' ASP . 65.3 tt0 -50.05 -68.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 10.0 t0 -37.48 -64.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 441' ' ' ASP . 6.8 mm-40 -36.32 -61.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 59.7 mt -42.79 -57.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.487 HG22 ' HG2' ' A' ' 448' ' ' ARG . 25.7 m -47.63 -57.05 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.82 -29.66 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -71.48 -25.25 62.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.562 ' O ' HD22 ' A' ' 453' ' ' LEU . 81.9 m-85 -121.38 23.66 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.487 ' HG2' HG22 ' A' ' 444' ' ' THR . 7.3 mmm180 -82.1 -50.83 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 448' ' ' ARG . 9.4 ptm180 -34.83 -53.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 67.7 m-85 -53.04 -42.73 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 156.47 158.87 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.43 125.87 7.88 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.14 -175.18 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 13.0 p -146.05 131.74 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 475' ' ' LEU . 12.5 t -93.45 113.98 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -128.44 114.78 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.526 ' CE2' ' HG2' ' A' ' 460' ' ' LYS . 6.0 p90 -100.05 159.31 30.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.13 125.43 6.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 62.65 37.84 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.526 ' HG2' ' CE2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -56.46 -51.64 67.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ALA . . . . . 0.474 ' HB3' ' OE2' ' A' ' 462' ' ' GLU . . . -35.07 -44.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 461' ' ' ALA . 2.3 mp0 -91.96 125.92 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 75.9 p -169.27 153.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -109.51 -64.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.2 t -105.83 178.56 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 466' ' ' TYR . 30.1 p90 -85.9 38.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.6 102.34 35.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.09 148.35 39.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 73.5 Cg_exo -47.44 -179.25 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 21.6 mtmm -33.82 149.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -47.19 90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 470' ' ' LYS . 11.4 p90 -174.96 135.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -168.16 171.4 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.24 122.32 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.621 HD11 HG21 ' A' ' 431' ' ' VAL . 13.8 mt -96.03 148.5 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 428' ' ' LYS . 27.5 mt -130.15 96.36 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 478' ' ' GLN . 79.8 m-85 -73.58 109.98 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 477' ' ' PHE . 11.9 tt0 -37.64 -56.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.51 156.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -42.67 21.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' SER . 26.5 t -42.04 -59.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' SER . 59.4 p -36.05 -51.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.53 -57.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -45.85 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.41 -35.23 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.5 tp -64.92 -52.07 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.585 HG23 HD11 ' A' ' 497' ' ' LEU . 76.3 mt -56.18 -56.68 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.15 -40.5 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.23 56.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 81.1 m -65.48 142.36 58.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 28.2 mt -91.11 138.07 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -111.98 133.45 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.3 -70.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -122.15 84.67 2.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.19 16.9 3.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -139.5 144.42 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.585 HD11 HG23 ' A' ' 487' ' ' ILE . 41.1 mt -97.72 169.83 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 78.0 m-85 -158.13 126.19 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 511' ' ' VAL . 22.3 tp -118.48 135.13 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 76.3 m -89.69 132.81 34.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 501' ' ' VAL . 17.4 m -133.52 118.19 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 12.0 m -91.55 117.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 49.3 m -102.89 155.2 36.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.04 -31.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 38.1 p -106.23 -60.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.24 137.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 508' ' ' ASP . 11.3 mmtp -75.9 172.6 12.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.7 OUTLIER -34.23 106.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.18 126.25 30.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.88 89.81 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 499' ' ' LEU . 5.6 m -79.28 147.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -84.15 101.71 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 431' ' ' VAL . 22.8 mm -96.28 115.41 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 516' ' ' TRP . 19.4 ttm180 -127.32 93.41 41.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.72 84.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.373 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 514' ' ' ARG . 46.7 t-105 -54.94 142.35 30.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.8 89.68 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 518' ' ' LEU . 0.5 OUTLIER -39.36 -49.93 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 60.6 p -120.68 175.37 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.03 147.84 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 89.4 p -129.91 162.83 27.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.14 135.82 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -104.69 134.11 48.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 10.5 p -146.13 137.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.9 tpt -75.19 121.03 21.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.2 146.36 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -130.62 130.84 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 179.78 146.06 6.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.18 101.69 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.9 t -44.5 137.38 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 82.8 p 38.74 41.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.5 t -143.28 151.15 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.6 t -49.82 -45.23 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 109.8 131.8 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.6 p -109.85 133.85 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.917 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.8 m -155.12 148.43 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 168.96 111.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.2 m -109.22 179.74 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.497 ' HA ' HG21 ' A' ' 483' ' ' VAL . 55.9 mtm-85 -75.68 -43.52 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 474' ' ' PHE . 15.1 tttp -43.78 144.39 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 427' ' ' ARG . 88.3 t -140.11 127.63 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.54 127.24 35.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 513' ' ' ILE . 18.6 t -126.21 116.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.84 153.55 16.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 85.91 36.11 10.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.9 mt -79.13 142.47 59.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.593 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.9 Cg_exo -47.2 146.36 6.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.29 1.76 8.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -131.56 31.73 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -112.29 150.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.56 ' OD1' ' CE1' ' A' ' 467' ' ' PHE . 0.2 OUTLIER -118.4 -176.28 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 441' ' ' ASP . 6.0 tm-20 -55.28 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.4 t70 -34.34 -59.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.89 -57.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 468' ' ' PRO . 65.9 mt -48.43 -51.98 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 448' ' ' ARG . 5.4 m -48.57 -52.78 21.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.8 -33.88 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 63.8 m -67.1 -28.47 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.458 ' CE2' HD23 ' A' ' 499' ' ' LEU . 58.7 m-85 -124.77 25.63 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.6 tpp180 -87.24 -43.82 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 448' ' ' ARG . 18.8 ptt180 -37.36 -49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 52.2 m-85 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.62 -169.42 37.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.21 127.09 9.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -149.13 177.92 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -136.79 137.79 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 9.7 t -91.95 139.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -152.0 108.95 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.591 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.8 p90 -100.03 149.31 35.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.93 -54.57 5.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -77.33 57.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 25.3 tttt -134.18 -53.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.81 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.47 -52.69 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 26.5 m -115.15 79.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.24 144.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 3.0 m -174.99 -178.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 466' ' ' TYR . 1.1 p90 -117.6 -23.7 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' PHE . . . . . 0.56 ' CE1' ' OD1' ' A' ' 439' ' ' ASP . 7.9 m-85 -97.48 108.81 47.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.529 ' HG2' HD11 ' A' ' 443' ' ' ILE . 74.3 Cg_exo -48.2 160.34 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.9 Cg_exo -46.21 178.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -39.22 -38.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 169.26 66.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 31.9 p90 -175.04 123.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.33 170.07 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 428' ' ' LYS . 60.6 m-85 -117.75 138.43 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.465 ' HB3' HD12 ' A' ' 453' ' ' LEU . 32.8 mt -112.57 129.61 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 18.8 mt -110.52 96.2 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -73.44 134.01 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -66.87 -58.77 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.85 109.51 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -42.01 -43.91 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 38.7 t -42.93 -56.51 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 99.9 p -39.91 -52.81 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 427' ' ' ARG . 88.1 t -38.39 -50.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -55.65 -58.76 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.19 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 29.2 tp -65.69 -54.75 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 497' ' ' LEU . 78.2 mt -51.69 -50.92 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.45 -43.64 68.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.93 77.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 63.6 m -65.04 109.42 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.85 -178.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -147.05 142.16 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -125.58 -70.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.16 89.96 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.66 14.52 2.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -137.88 147.13 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 487' ' ' ILE . 27.2 mt -97.56 170.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.6 m-85 -158.95 139.1 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 447' ' ' PHE . 32.3 tp -128.84 148.5 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.05 131.13 41.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 501' ' ' VAL . 19.7 m -129.0 113.8 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 85.3 p -86.54 139.21 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.7 m -129.1 156.29 78.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.65 -39.77 18.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 39.7 p -101.55 -60.83 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.1 mm -76.18 149.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 508' ' ' ASP . 23.2 mmtm -90.73 171.45 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.67 105.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -105.24 132.08 21.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.11 93.94 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.55 146.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -81.76 104.62 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 431' ' ' VAL . 41.0 mm -96.73 109.31 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -127.53 93.21 41.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.88 97.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -59.84 89.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -75.73 94.2 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.9 tp -106.4 109.36 21.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.6 t -169.28 117.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 521' ' ' SER . 1.1 t70 -95.06 -57.84 2.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 520' ' ' ASP . 66.1 m -36.01 119.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -127.97 20.96 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -152.48 149.35 28.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 89.7 t -129.1 143.23 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 7.8 ttt -113.16 159.61 19.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.13 43.32 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 48.5 m -83.26 -46.67 12.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -122.02 95.17 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.59 96.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 16.6 t 48.42 42.21 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 33.2 t -110.5 146.04 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.6 p -115.83 142.83 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.6 t -70.52 107.24 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.03 38.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.9 t -105.06 88.7 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 p -53.59 96.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -76.6 -178.84 46.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 16.1 m -73.54 177.21 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.585 ' O ' HG23 ' A' ' 429' ' ' VAL . 52.7 mtm180 -63.44 -44.81 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.487 ' HG2' HD21 ' A' ' 476' ' ' LEU . 14.2 mmtm -55.54 112.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.6 t -114.6 104.33 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.92 123.51 21.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.43 134.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.25 159.79 23.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 81.38 17.74 70.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.66 141.52 79.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.723 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.6 Cg_exo -47.24 145.85 7.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 4.07 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -132.87 30.66 4.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.8 tt -109.94 162.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.73 -174.92 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -59.31 -61.54 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 442' ' ' GLU . 3.3 m-20 -45.95 -65.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 441' ' ' ASP . 10.1 mm-40 -34.45 -61.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.9 mt -45.52 -42.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 441' ' ' ASP . 38.3 m -61.76 -60.94 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.83 -25.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 21.3 t -74.38 -23.53 59.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 453' ' ' LEU . 37.9 m-85 -121.68 18.91 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -83.98 -22.68 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -52.14 -33.56 40.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 63.7 m-85 -80.13 -30.08 38.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 148.93 160.05 8.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.48 127.24 7.46 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.4 pt? -146.67 168.29 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 476' ' ' LEU . 14.9 p -130.37 132.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.57 147.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.86 108.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CH2' ' NZ ' ' A' ' 460' ' ' LYS . 5.4 p90 -99.04 153.1 37.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.539 0.685 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.98 -61.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.23 71.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.481 ' NZ ' ' CH2' ' A' ' 457' ' ' TRP . 21.0 tttp -121.32 -69.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.28 69.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.12 33.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 4.1 t -132.27 173.03 11.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -115.62 -44.36 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 28.8 t -84.98 159.68 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -105.95 31.31 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -110.68 97.0 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.36 102.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.589 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -44.04 152.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 469' ' ' PRO . 12.0 tttp 35.71 31.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 45.57 93.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.43 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 4.4 p90 -175.25 138.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -161.89 165.68 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.063 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -113.95 123.36 49.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 19.7 mt -89.4 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.524 ' HB2' HG13 ' A' ' 454' ' ' VAL . 27.2 mt -120.01 79.65 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.08 116.64 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -39.08 -44.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -111.45 149.03 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -72.01 -42.26 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 482' ' ' SER . 40.0 t -39.78 -62.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 481' ' ' SER . 51.8 p -35.29 -52.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 482' ' ' SER . 96.6 t -34.37 -48.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -55.89 -53.85 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -52.71 -30.51 32.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 23.9 tp -69.5 -52.43 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.466 HG23 HD11 ' A' ' 497' ' ' LEU . 57.7 mt -53.47 -43.01 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.51 -45.9 90.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.88 80.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.47 115.86 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.31 -178.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 492' ' ' GLU . 6.6 tm-20 -142.42 138.46 31.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' A' ' 492' ' ' GLU . 9.7 tt0 -116.49 -72.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.85 71.34 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 81.88 -23.85 4.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -102.97 152.89 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 24.3 mt -94.31 170.87 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 70.5 m-85 -160.36 129.99 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.1 tp -123.86 130.52 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.51 142.17 34.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.99 113.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 99.3 p -88.29 131.99 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.2 m -116.66 156.84 47.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -22.31 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 42.8 p -120.67 -63.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.32 145.7 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.6 mmmt -84.62 166.46 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.8 OUTLIER -34.66 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -107.62 130.95 22.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.69 101.83 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 499' ' ' LEU . 3.3 m -96.25 125.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' GLN . . . . . 0.463 ' O ' HD13 ' A' ' 513' ' ' ILE . 16.6 mt-30 -57.7 141.53 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 512' ' ' GLN . 18.4 mm -128.45 129.54 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.1 ttt180 -145.6 105.03 4.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 515' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 517' ' ' ASN . 54.5 Cg_exo -53.67 78.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 514' ' ' ARG . 76.7 t-105 -45.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 517' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 515' ' ' PRO . 0.2 OUTLIER -69.81 121.38 17.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 4.5 tp -81.79 -44.93 16.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.1 p -169.56 120.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -50.67 152.92 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 85.8 p -174.87 159.98 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -167.41 120.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -88.3 128.46 35.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.19 135.02 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 31.6 ttm 59.26 41.53 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.96 89.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.6 p -54.87 93.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 159.83 95.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 530' ' ' SER . 63.3 Cg_endo -79.22 20.42 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 530' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 529' ' ' PRO . 4.7 t -34.54 118.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 21.9 t -109.53 140.99 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.3 m 50.27 45.51 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.385 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.5 m -115.69 82.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 133.69 62.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 47.2 t -159.78 145.43 15.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 60.3 p -91.08 167.55 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -173.39 124.5 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 7.1 m -80.89 146.67 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 483' ' ' VAL . 76.9 mtm180 -57.05 -58.36 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 48.6 tttp -35.52 128.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 427' ' ' ARG . 60.0 t -122.05 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -98.69 113.34 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 37.2 t -112.83 116.84 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.02 139.39 15.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 102.48 31.69 5.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.3 mt -78.24 142.12 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.642 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.7 Cg_exo -47.62 146.37 7.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.85 -0.12 10.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -134.97 38.69 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.0 tt -113.1 141.26 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.29 -176.26 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.1 tt0 -60.01 -70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 440' ' ' GLU . 1.5 m-20 -34.15 -59.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.27 -47.86 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 11.4 m -52.87 -55.78 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.73 -38.52 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 499' ' ' LEU . 91.6 m-85 -121.11 33.43 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -97.5 -41.9 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -24.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.518 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.8 m-85 -78.06 -37.19 47.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 155.55 157.8 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 119.35 2.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -138.85 -177.11 4.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.8 p -141.07 134.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.45 HG12 ' CE3' ' A' ' 457' ' ' TRP . 45.5 t -87.3 117.52 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.27 102.03 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.457 ' HB2' ' CD ' ' A' ' 469' ' ' PRO . 9.0 p90 -99.84 155.41 36.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 149.07 61.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.46 53.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 461' ' ' ALA . 22.6 tttt -100.54 -58.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -36.74 -56.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -50.01 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 27.7 m -79.83 84.52 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.18 78.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.4 t -169.33 158.86 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -88.69 38.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.01 126.91 26.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.451 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 62.5 Cg_endo -77.99 159.93 30.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.8 Cg_exo -46.28 178.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 86.4 mttt -34.02 -49.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 179.17 68.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.7 p90 -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -147.11 171.69 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.546 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 84.2 m-85 -120.43 120.15 35.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.63 125.62 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 53.0 mt -110.33 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -52.27 149.19 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -76.55 -62.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -90.15 115.3 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.26 -37.16 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 48.1 m -52.02 -42.25 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 59.8 p -56.0 -27.36 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 427' ' ' ARG . 99.9 t -63.71 -49.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -51.33 -55.48 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.02 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.518 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 23.1 tp -55.81 -60.94 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.9 mt -42.95 -58.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.45 -42.53 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.06 80.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 56.6 m -66.3 113.28 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.48 -177.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.46 138.72 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -117.91 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -125.34 70.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.42 -29.31 3.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -98.24 154.83 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 22.6 mt -95.15 170.87 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 96.8 m-85 -159.79 134.17 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 447' ' ' PHE . 19.7 tp -120.62 141.68 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.3 m -92.83 129.11 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 501' ' ' VAL . 16.7 m -126.79 114.59 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 23.9 p -90.13 130.16 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 36.9 m -117.66 157.64 47.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.89 -19.54 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 31.0 p -131.02 -65.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.91 103.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -46.67 171.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -42.5 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -108.02 134.33 20.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.73 92.15 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.96 147.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -80.75 107.95 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 28.0 mm -97.08 99.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 516' ' ' TRP . 18.2 ttt180 -117.85 94.02 45.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.2 Cg_exo -45.39 87.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 514' ' ' ARG . 64.4 t-105 -36.25 141.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -102.92 111.4 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 46.4 tp -112.84 136.93 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 520' ' ' ASP . 77.7 p -121.14 -45.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 519' ' ' SER . 36.3 m-20 -35.35 -51.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.7 m -67.57 127.45 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -174.81 139.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.09 134.25 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.4 124.79 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtp -140.08 170.87 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 526' ' ' ASP . 0.2 OUTLIER -98.03 -51.83 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 91.8 p -142.93 158.05 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 129.96 143.28 5.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -79.31 165.29 23.55 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 55.7 p -83.54 43.92 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 86.6 p -44.29 146.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 67.8 m -96.42 97.01 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.3 t -96.07 97.15 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 48.72 -126.62 17.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 68.9 m -139.0 122.83 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 425' ' ' GLY . 1.8 t -125.46 107.61 10.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 425' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 424' ' ' SER . . . 34.55 -127.62 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.2 t -143.83 177.32 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.468 ' NE ' ' HG3' ' A' ' 480' ' ' GLU . 8.8 mtt85 -79.51 -32.75 42.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.535 ' HD3' HD21 ' A' ' 476' ' ' LEU . 23.0 ttpt -59.32 137.84 57.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.52 ' CG1' HG23 ' A' ' 513' ' ' ILE . 53.8 t -126.17 138.18 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -98.34 111.3 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 513' ' ' ILE . 49.1 t -108.64 119.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.09 154.74 16.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 79.78 43.16 10.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.98 142.6 41.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.643 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -47.93 144.98 10.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.707 2.272 . . . . 0.0 112.403 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.97 0.69 9.83 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -134.02 36.63 3.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.3 tt -115.65 135.49 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.97 172.89 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 441' ' ' ASP . 19.7 tt0 -52.92 -70.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.7 m-20 -35.81 -54.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.99 -57.4 3.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 455' ' ' VAL . 64.0 mt -49.29 -44.03 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 26.6 m -55.89 -55.14 36.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.62 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 58.1 m -57.81 -32.16 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.559 ' O ' HD22 ' A' ' 453' ' ' LEU . 86.7 m-85 -121.9 35.23 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 451' ' ' GLY . 13.8 tpt180 -98.87 -43.6 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 3.4 ptp180 -39.0 -44.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 486' ' ' LEU . 92.5 m-85 -60.73 -41.34 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.95 -170.6 40.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.14 120.93 5.89 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -139.52 -177.71 5.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.4 p -140.74 134.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.546 HG12 ' CE3' ' A' ' 457' ' ' TRP . 19.2 t -89.53 113.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -128.45 103.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 7.8 p90 -99.43 155.81 36.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.98 155.55 52.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.228 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 64.45 31.99 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 457' ' ' TRP . 30.6 tptt -79.2 -47.69 15.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -44.26 -64.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.34 -47.36 81.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 18.2 t -69.46 81.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 465' ' ' SER . 0.0 OUTLIER -58.38 -29.67 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.403 ' N ' ' HD2' ' A' ' 464' ' ' LYS . 36.8 m -63.36 139.49 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -81.97 42.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.58 116.32 22.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.42 169.18 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.56 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 61.7 Cg_endo -77.05 179.9 6.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.5 mptp? -33.84 -55.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.26 72.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 15.7 p90 -174.75 121.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.97 172.13 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.4 128.42 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 431' ' ' VAL . 33.1 mt -103.62 126.45 50.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.535 HD21 ' HD3' ' A' ' 428' ' ' LYS . 57.7 mt -109.0 84.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -58.94 126.56 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -44.83 -63.24 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -98.95 161.61 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.468 ' HG3' ' NE ' ' A' ' 427' ' ' ARG . 30.2 mt-10 -76.48 -45.77 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 480' ' ' GLU . 2.4 m -35.23 -53.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 24.9 p -44.04 -48.72 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.8 t -42.57 -48.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.1 -53.18 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -53.26 -39.2 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 450' ' ' PHE . 14.4 tp -63.1 -54.74 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.775 HG23 HD11 ' A' ' 497' ' ' LEU . 47.9 mt -51.24 -57.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -46.25 -38.82 9.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.87 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 79.2 m -66.82 113.05 4.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.13 -177.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -145.15 142.28 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -121.35 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -126.65 70.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.41 -29.5 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -99.08 156.98 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.775 HD11 HG23 ' A' ' 487' ' ' ILE . 16.7 mt -95.59 172.88 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.7 m-85 -160.9 119.17 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' ' 447' ' ' PHE . 26.8 tp -109.71 142.9 40.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 60.7 m -95.43 126.0 40.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 501' ' ' VAL . 34.2 m -120.97 120.55 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' SER . . . . . 0.423 ' HB3' ' CG ' ' A' ' 508' ' ' ASP . 61.2 p -97.62 125.84 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 18.5 p -122.65 144.23 41.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -19.78 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 29.9 p -103.94 -57.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.1 143.99 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -72.35 171.07 12.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 502' ' ' SER . 6.0 m-20 -43.07 101.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -100.02 132.61 22.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.18 84.92 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.86 142.04 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -80.36 114.43 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 431' ' ' VAL . 43.0 mm -101.01 107.0 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -123.02 93.9 47.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 90.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -52.31 122.43 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -121.85 176.66 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.73 ' H ' HD23 ' A' ' 518' ' ' LEU . 1.1 pt? -96.74 -29.47 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.1 t -174.76 162.56 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -132.15 -50.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 88.3 p -70.28 129.49 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -174.71 141.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -106.88 142.67 36.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.7 151.69 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 30.6 mtm -77.3 84.01 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.35 -49.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.3 p -45.41 135.24 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 179.07 168.71 38.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.94 149.78 29.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.296 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.9 t -153.35 169.96 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 52.5 m -124.94 -54.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.538 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 56.3 p -139.62 125.88 20.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.6 t -163.35 160.88 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 69.14 93.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 20.0 m -112.19 162.78 15.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 29.7 t -145.74 140.57 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -120.4 -126.26 3.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m -88.76 140.39 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.892 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 427' ' ' ARG . 29.3 mtm105 -45.61 -30.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.5 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 18.3 tttp -57.15 137.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.25 130.71 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -86.98 138.09 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.426 HG22 HD13 ' A' ' 513' ' ' ILE . 12.2 t -134.54 122.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -131.81 116.95 1.98 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 129.5 20.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.08 143.7 84.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 438' ' ' ILE . 71.7 Cg_exo -46.09 150.71 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.748 2.299 . . . . 0.0 112.304 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -78.81 -1.49 11.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.34 39.29 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.2 tt -111.44 133.69 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -91.75 -174.99 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 441' ' ' ASP . 41.4 tt0 -62.78 -66.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 444' ' ' THR . 0.3 OUTLIER -37.97 -65.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 441' ' ' ASP . 25.4 mt-10 -35.1 -56.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 73.9 mt -48.08 -43.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.46 HG22 ' HG2' ' A' ' 448' ' ' ARG . 4.0 m -62.36 -56.88 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.2 -39.27 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 13.3 m -62.38 -27.65 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.675 ' O ' HD22 ' A' ' 453' ' ' LEU . 92.4 m-85 -121.52 31.31 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.46 ' HG2' HG22 ' A' ' 444' ' ' THR . 3.7 mmm180 -93.08 -45.24 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -39.16 -46.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -60.76 -42.47 97.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 166.11 -174.73 41.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.46 118.23 4.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.5 pt? -135.03 176.8 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.1 p -134.05 134.17 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.4 t -90.36 141.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.1 114.0 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.2 p90 -100.04 159.64 29.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.79 -65.23 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -87.56 66.18 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 36.0 tttm -108.71 -49.24 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.31 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' SER . 1.1 mp0 -65.19 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' GLU . 89.6 p -34.62 150.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.44 -59.36 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 87.9 p -53.87 163.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.22 36.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -116.76 92.99 39.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.99 167.78 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -45.85 176.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -41.87 -55.77 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.2 70.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 36.0 p90 -174.65 132.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -154.87 179.06 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.5 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 51.5 m-85 -122.36 147.61 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.496 ' HB3' HD12 ' A' ' 453' ' ' LEU . 56.8 mt -122.18 130.64 53.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 41.2 mt -114.18 87.51 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.81 127.8 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -41.8 -61.01 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.38 161.14 13.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.45 -44.39 35.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -39.79 -51.78 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 12.0 p -46.7 -51.8 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.28 -48.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.77 -60.09 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.22 -37.15 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.4 -59.32 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 497' ' ' LEU . 87.7 mt -42.22 -53.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.78 -40.06 72.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.67 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.29 117.05 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.21 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.99 140.79 29.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -122.72 -74.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.33 70.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.56 -26.09 4.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 514' ' ' ARG . 41.4 mttt -102.65 157.61 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 487' ' ' ILE . 14.2 mt -99.32 164.01 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -155.48 116.49 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.0 tp -105.97 128.08 53.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 3.9 m -80.75 121.86 26.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.3 m -115.59 122.72 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 41.6 p -91.48 155.09 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 506' ' ' ILE . 14.8 m -147.62 156.09 45.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -45.02 -40.57 15.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 30.7 p -96.68 -54.29 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 503' ' ' SER . 49.1 mm -91.13 145.47 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.13 173.68 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.0 p-10 -34.3 110.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -125.92 109.58 24.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.58 129.4 23.32 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 499' ' ' LEU . 2.5 m -119.33 134.48 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -65.56 101.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.426 HD13 HG22 ' A' ' 431' ' ' VAL . 12.1 mm -97.96 111.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 516' ' ' TRP . 26.0 mmm180 -126.29 93.14 43.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 72.5 Cg_exo -47.12 84.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.486 ' N ' ' O ' ' A' ' 514' ' ' ARG . 70.8 t-105 -34.67 102.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -99.47 114.5 27.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.7 tp -142.94 152.98 42.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.8 t -114.93 117.0 29.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.32 -44.26 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 3.8 t -80.42 174.95 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.05 131.2 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -41.31 144.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 93.9 t -116.23 126.41 73.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 3.1 ttt -83.95 90.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -127.11 158.54 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 529' ' ' PRO . 3.6 m -60.19 154.23 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -105.17 97.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 527' ' ' SER . 60.8 Cg_endo -74.83 99.22 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 88.3 p -50.38 154.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 31.2 t -48.46 125.19 9.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.445 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.4 t 63.66 42.7 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.7 m -130.4 129.72 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 164.81 179.02 38.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 92.4 p -119.32 98.83 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 52.8 m -123.42 90.46 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 101.66 84.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m -43.3 160.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.413 ' HA ' HG21 ' A' ' 483' ' ' VAL . 51.8 mtm180 -83.73 -12.34 55.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 476' ' ' LEU . 14.3 tptm -78.4 109.71 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 513' ' ' ILE . 74.3 t -113.93 128.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -91.4 137.33 32.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 5.5 t -128.45 131.28 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -128.56 149.71 18.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.62 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.76 143.57 90.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.704 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.34 147.67 5.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.05 0.79 9.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -132.71 34.7 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.2 tt -112.28 128.86 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.68 173.14 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.0 tt0 -46.16 -69.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.2 t0 -34.22 -64.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 438' ' ' ILE . 5.5 mm-40 -35.67 -59.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.06 -47.4 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 448' ' ' ARG . 6.7 m -55.15 -59.57 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.22 -26.51 60.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 62.5 m -73.1 -27.3 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.0 13.46 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 444' ' ' THR . 15.5 tpt180 -80.3 -31.58 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -55.1 -14.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.5 m-85 -93.93 -24.61 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 142.97 159.56 8.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.76 118.22 2.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.89 -178.07 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 476' ' ' LEU . 6.3 p -141.75 142.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.7 t -99.71 141.37 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.7 112.6 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 2.3 p90 -100.18 159.02 30.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.54 -65.31 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' A' ' 459' ' ' HIS . 23.2 p80 -97.76 83.69 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 457' ' ' TRP . 6.9 ptmt -118.9 -38.78 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -84.82 -47.86 9.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.34 -47.81 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.6 m -54.29 162.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 23.65 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 16.7 m -142.39 157.76 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 467' ' ' PHE . 2.3 p90 -81.22 -52.48 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 466' ' ' TYR . 19.7 m-85 -33.29 96.38 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.66 0.743 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 466' ' ' TYR . 71.3 Cg_exo -45.42 171.0 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.481 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 72.0 Cg_exo -45.82 177.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -48.28 -49.0 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -177.59 57.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.8 p90 -164.85 124.56 1.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.38 170.18 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.496 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 27.8 m-85 -118.05 146.37 44.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 38.5 mt -117.5 143.85 45.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.609 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.2 mt -128.87 87.87 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 482' ' ' SER . 88.0 m-85 -63.96 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -63.26 -51.16 67.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 480' ' ' GLU . 17.9 mt-10 -103.58 114.37 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 479' ' ' GLU . 19.3 mt-10 -36.95 -40.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 4.7 t -44.35 -53.57 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.54 ' HB3' ' CD1' ' A' ' 477' ' ' PHE . 3.9 m -38.05 -51.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 427' ' ' ARG . 98.7 t -41.26 -55.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -50.76 -59.99 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.73 -37.99 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 450' ' ' PHE . 13.0 tp -65.32 -62.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 497' ' ' LEU . 90.9 mt -39.92 -51.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.88 -47.87 67.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.48 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 39.8 m -50.04 116.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 498' ' ' TYR . 18.3 mt -54.16 172.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.09 124.13 44.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -133.55 86.7 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.52 43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.49 -38.8 3.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -68.91 163.64 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 487' ' ' ILE . 82.1 mt -116.5 145.13 43.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 491' ' ' LEU . 96.9 m-85 -148.45 128.72 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.6 tp -111.62 135.58 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 4.6 p -81.58 118.52 22.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.01 105.42 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 42.5 p -96.61 129.38 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 67.0 m -109.21 155.66 40.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.73 -21.49 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 6.7 p -109.1 -54.88 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.69 141.1 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -77.09 165.23 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.479 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 1.8 m-20 -33.73 111.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -124.68 106.24 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 53.7 Cg_exo -54.08 134.3 59.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.31 137.48 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.41 114.25 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.503 HG23 ' CG1' ' A' ' 429' ' ' VAL . 46.1 mm -105.65 97.03 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -109.25 95.22 17.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.93 90.75 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -43.16 149.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 50.39 53.22 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.3 tp -88.85 107.16 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 22.0 t -70.04 169.81 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.57 172.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 33.4 t -171.0 139.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -166.48 137.99 3.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -147.16 176.62 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 13.2 p -147.79 130.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.5 ptp -103.13 146.82 27.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -113.08 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 48.9 p -125.19 -42.27 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 65.05 -146.36 50.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.54 145.42 26.35 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 64.1 p -134.73 176.2 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.0 m -159.15 123.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 11.0 m -113.85 106.87 14.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.8 t -166.17 169.07 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -69.96 -54.13 12.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 22.9 t 54.37 41.46 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.814 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 25.6 p 38.84 44.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -59.37 -171.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t -47.71 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 429' ' ' VAL . 12.8 mtt85 -73.99 -40.19 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.626 ' HA ' HD23 ' A' ' 476' ' ' LEU . 19.6 tttp -49.49 144.45 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.421 ' CG1' HG23 ' A' ' 513' ' ' ILE . 64.7 t -138.73 131.59 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -89.47 129.46 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 13.1 t -125.97 121.2 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -125.42 119.71 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 511' ' ' VAL . . . 125.17 27.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.453 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.63 142.37 66.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.3 Cg_exo -47.44 151.14 3.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.18 -1.13 11.32 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -134.99 40.02 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.1 tt -111.83 137.53 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -102.09 171.14 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 441' ' ' ASP . 67.1 tt0 -47.85 -69.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 440' ' ' GLU . 14.0 t0 -35.44 -59.84 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.71 -58.58 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.1 mt -48.42 -39.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.5 m -60.8 -55.34 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.37 -42.87 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.9 m -57.12 -32.56 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.668 ' O ' HD22 ' A' ' 453' ' ' LEU . 91.9 m-85 -119.99 31.36 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -96.56 -40.02 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 449' ' ' ARG . 4.3 ptm85 -45.26 -34.32 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.2 m-85 -70.98 -42.32 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 167.31 -171.49 42.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.51 110.18 3.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -128.04 -177.42 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -142.91 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.467 HG12 ' CE3' ' A' ' 457' ' ' TRP . 17.2 t -92.54 132.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -146.68 112.86 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 1.4 p90 -100.63 158.88 31.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.13 -66.1 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.25 90.45 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -119.06 -41.58 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -82.78 -42.51 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.08 -48.43 76.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 66.3 m -63.94 137.98 58.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -93.25 42.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 5.4 m -155.42 148.53 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -90.07 36.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -115.34 94.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.709 0.766 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.34 166.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.1 Cg_exo -45.08 170.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -47.68 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -178.45 64.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 26.7 p90 -174.22 133.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.38 178.08 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.468 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 87.7 m-85 -121.95 127.09 49.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 476' ' ' LEU . 83.5 mt -99.25 144.27 28.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 428' ' ' LYS . 46.1 mt -130.45 96.14 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.526 ' CE1' HD22 ' A' ' 486' ' ' LEU . 90.9 m-85 -73.84 131.36 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.88 -56.03 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.1 mt-10 -90.34 113.67 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 481' ' ' SER . 35.2 mt-10 -37.71 -47.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 482' ' ' SER . 14.9 m -36.18 -58.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 481' ' ' SER . 19.7 m -34.53 -50.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 427' ' ' ARG . 90.0 t -43.24 -58.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -54.37 -60.77 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.38 -39.02 9.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.7 tp -64.79 -57.21 9.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.539 HG23 HD11 ' A' ' 497' ' ' LEU . 54.0 mt -48.35 -59.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.56 -43.36 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.48 80.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.42 115.93 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.7 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -143.88 138.89 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -117.52 -73.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -126.85 69.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.36 -27.4 3.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.44 155.46 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.539 HD11 HG23 ' A' ' 487' ' ' ILE . 32.7 mt -92.5 169.13 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.95 116.19 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 511' ' ' VAL . 18.8 tp -111.32 137.24 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 29.9 p -84.62 132.47 34.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -130.74 114.52 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 81.5 p -87.21 130.15 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 t -120.95 147.34 46.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.48 -22.93 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -112.03 -53.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.27 143.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.27 172.7 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.05 108.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -106.05 129.65 24.23 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -77.94 84.41 2.0 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 499' ' ' LEU . 24.8 m -78.51 140.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.75 111.92 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.421 HG23 ' CG1' ' A' ' 429' ' ' VAL . 19.0 mm -100.56 114.8 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -120.23 90.48 44.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.7 108.35 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -48.77 118.28 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -115.9 77.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 7.2 tp -155.99 118.57 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.1 t -126.41 152.21 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.32 -47.86 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 42.4 t -46.71 146.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -114.93 101.44 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -41.51 124.94 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.17 137.59 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -59.75 133.89 56.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.1 -45.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 82.4 p -171.6 108.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -110.07 95.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.71 168.45 24.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.274 . . . . 0.0 112.331 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.1 t -172.82 147.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 88.0 p -100.84 147.64 25.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 15.6 t -131.67 113.2 13.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 66.7 p -129.57 106.57 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -128.03 -87.01 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 61.3 m -120.77 148.28 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 46.7 t -48.68 157.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -93.48 -151.69 28.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m -83.83 178.86 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 429' ' ' VAL . 87.7 mtm-85 -77.87 -52.67 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.688 ' CG ' HD21 ' A' ' 476' ' ' LEU . 67.4 mttt -45.32 142.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 427' ' ' ARG . 48.5 t -137.25 117.48 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -80.48 109.38 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.07 126.28 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.42 130.86 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 118.65 12.54 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.56 143.94 98.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.2 Cg_exo -47.25 147.05 6.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.81 0.97 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.757 2.305 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -131.86 33.11 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 435' ' ' PRO . 19.0 tt -110.17 151.24 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.93 178.98 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.3 tt0 -52.94 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 440' ' ' GLU . 20.4 t70 -34.13 -65.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 441' ' ' ASP . 13.3 mt-10 -35.17 -54.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.23 -60.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 448' ' ' ARG . 83.8 m -45.51 -45.87 13.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.14 -39.39 82.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.1 m -65.16 -24.59 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -122.06 19.83 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 444' ' ' THR . 7.0 tpt180 -86.89 -31.59 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.566 ' HD2' ' CD1' ' A' ' 450' ' ' PHE . 0.1 OUTLIER -48.56 -33.9 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 449' ' ' ARG . 84.8 m-85 -73.86 -31.66 63.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 153.35 -168.65 32.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.37 125.25 8.96 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.84 174.39 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 476' ' ' LEU . 12.8 p -137.06 129.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.767 HG13 HD23 ' A' ' 475' ' ' LEU . 3.1 t -91.31 149.14 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -155.58 112.26 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 3.5 p90 -99.22 158.34 32.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.539 0.685 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.8 -53.6 4.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.79 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.581 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 11.1 tmtt? -125.2 -54.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.38 94.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.11 -47.51 15.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 5.5 m -82.06 122.33 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 464' ' ' LYS . 2.2 mppt? -76.18 -41.37 49.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 464' ' ' LYS . 6.6 t -36.88 133.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -89.24 44.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.19 95.77 18.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.31 161.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.517 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 76.7 Cg_exo -49.3 178.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -39.34 -66.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.48 66.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -171.43 130.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -152.34 172.99 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -118.1 119.59 35.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.767 HD23 HG13 ' A' ' 455' ' ' VAL . 21.2 mt -93.83 142.51 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 428' ' ' LYS . 23.6 mt -126.45 97.97 5.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.98 126.41 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -49.23 -61.07 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.33 123.19 38.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -44.88 -46.71 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.0 p -39.01 -45.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.1 t -45.83 -51.88 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.96 -50.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -54.08 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -42.95 -45.56 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.559 HD11 HD22 ' A' ' 499' ' ' LEU . 33.1 tp -58.14 -59.2 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.426 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.6 mt -46.72 -52.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -51.93 -44.91 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.22 73.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 499' ' ' LEU . 38.3 m -57.22 136.03 56.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.36 163.51 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.76 119.67 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -131.53 87.28 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.9 t70 69.45 43.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 88.52 -38.8 3.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -73.49 139.18 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 487' ' ' ILE . 55.2 mt -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -146.02 128.99 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.81 150.16 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.2 p -97.82 131.53 44.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.6 m -139.45 106.48 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.1 t -87.93 146.72 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.2 m -127.59 159.23 67.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.27 -21.5 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.7 p -114.16 -63.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 507' ' ' LYS . 17.8 mm -78.21 150.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 506' ' ' ILE . 34.6 mmtt -86.12 172.1 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.2 p-10 -38.19 104.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 126.84 33.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 510' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 63.1 Cg_endo -78.17 74.99 5.08 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.0 m -61.54 152.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -88.45 103.44 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.5 mm -89.11 111.45 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -122.69 92.99 48.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.06 141.53 9.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 35.3 t-105 -63.11 138.53 58.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.72 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 6.8 tp -112.12 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.8 t -112.96 141.36 46.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.06 40.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 90.6 p -150.54 152.11 33.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.05 22.26 12.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -47.27 147.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 5.8 p -165.42 133.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.5 ptm -130.77 62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 527' ' ' SER . 16.2 t0 -124.27 135.71 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 526' ' ' ASP . 3.8 m -34.51 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 170.7 139.68 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.54 151.55 3.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.4 m -151.97 157.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 83.0 p -156.71 152.68 27.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 73.2 m -133.61 150.18 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -153.82 162.15 41.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -68.71 123.6 16.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 14.5 m -125.92 -51.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 72.0 m -136.39 113.91 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 426' ' ' SER . . . -142.45 115.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 425' ' ' GLY . 40.6 p -36.51 134.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.816 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -91.73 -46.16 8.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 516' ' ' TRP . 3.1 ttmp? -65.18 131.81 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 513' ' ' ILE . 84.9 t -121.75 132.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.99 105.28 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.766 HG22 HD12 ' A' ' 513' ' ' ILE . 46.7 t -105.2 121.22 56.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.71 150.15 18.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.4 ' O ' HG12 ' A' ' 511' ' ' VAL . . . 87.5 37.07 8.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.7 142.05 45.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.675 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.8 141.68 15.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.99 3.8 7.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -132.96 30.81 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.0 tt -110.53 138.61 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 440' ' ' GLU . 6.8 t70 -100.83 169.48 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 439' ' ' ASP . 38.0 tt0 -48.13 -70.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 440' ' ' GLU . 40.2 t0 -34.25 -52.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' CB ' HG13 ' A' ' 438' ' ' ILE . 22.1 mm-40 -49.14 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 63.6 mt -42.25 -48.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 448' ' ' ARG . 2.5 m -54.1 -57.64 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.45 -38.3 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.4 m -61.24 -28.42 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -121.56 28.82 7.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.407 ' HG2' HG22 ' A' ' 444' ' ' THR . 1.3 mmm180 -91.02 -30.07 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -63.37 -10.32 16.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 486' ' ' LEU . 69.4 m-85 -96.28 -30.31 13.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 151.61 -171.85 31.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 124.53 8.18 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -146.96 179.52 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.2 p -141.54 138.45 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.43 HG12 ' CE3' ' A' ' 457' ' ' TRP . 12.1 t -91.81 139.52 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -155.21 108.05 2.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.9 p90 -100.15 156.93 34.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.8 -0.29 6.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -123.47 36.35 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -86.91 -64.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.29 -56.5 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -49.24 -57.24 7.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 42.4 t -84.0 98.52 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -41.07 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 67.6 m -55.23 160.34 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -89.35 30.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -103.08 142.16 23.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.15 169.28 19.32 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 472' ' ' TYR . 58.3 Cg_endo -71.51 -179.17 3.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 36.5 mtmt -33.73 -60.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -176.13 72.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 469' ' ' PRO . 5.8 p90 -174.97 130.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -148.65 163.39 37.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -114.65 123.89 50.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 31.2 mt -103.89 115.34 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 428' ' ' LYS . 86.7 mt -96.53 95.32 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -73.98 115.72 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -50.19 -49.08 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 115.44 28.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.28 -42.03 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 482' ' ' SER . 8.3 t -55.34 -52.58 63.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 481' ' ' SER . 3.7 t -36.26 -42.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.82 -61.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -40.98 -49.14 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.92 -47.13 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 450' ' ' PHE . 12.7 tp -52.29 -58.37 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 497' ' ' LEU . 82.9 mt -44.97 -45.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.94 -50.48 61.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.39 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 71.5 m -48.28 120.56 3.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.64 161.81 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.97 121.66 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -134.33 97.05 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.64 40.4 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.46 -38.55 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -67.83 168.12 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.536 ' CD1' HG23 ' A' ' 487' ' ' ILE . 97.9 mt -120.85 154.06 36.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.433 ' CE2' ' HG3' ' A' ' 512' ' ' GLN . 96.5 m-85 -154.31 136.55 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.0 tp -119.95 138.4 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.11 129.93 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.9 m -136.83 112.0 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.56 137.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 23.6 p -116.51 155.34 48.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 -20.29 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -111.12 -58.06 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 507' ' ' LYS . 40.1 mm -82.79 154.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 9.5 mmtm -90.56 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 13.2 m-20 -34.21 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -109.4 113.89 57.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.1 93.5 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 433' ' ' GLY . 16.8 m -79.69 161.94 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' GLN . . . . . 0.433 ' HG3' ' CE2' ' A' ' 498' ' ' TYR . 7.6 tt0 -97.94 99.23 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.766 HD12 HG22 ' A' ' 431' ' ' VAL . 29.1 mm -81.95 123.4 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -130.18 90.37 42.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 517' ' ' ASN . 74.0 Cg_exo -48.19 92.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 48.9 t-105 -44.15 92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 515' ' ' PRO . 0.9 OUTLIER -92.85 121.82 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 518' ' ' LEU . 2.2 pp -98.35 -14.05 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.4 m -153.02 123.63 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -84.82 40.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 92.7 p -57.94 177.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -164.88 130.72 2.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.0 145.14 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 13.1 p -146.36 137.82 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.2 ttp -122.76 124.56 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -96.34 121.47 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 m -150.21 130.14 13.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -83.46 -162.56 33.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.0 131.36 11.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 71.0 m -146.78 171.07 15.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 532' ' ' GLY . 57.2 p -125.59 115.21 19.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.869 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 532' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 531' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 40.8 t -90.82 -51.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 89.9 p -56.63 -43.31 80.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 141.61 92.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.8 m -125.84 82.06 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -67.53 171.75 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -157.24 161.86 31.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 30.3 m -45.72 164.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.657 ' HA ' HG21 ' A' ' 483' ' ' VAL . 49.5 mtm180 -82.44 -62.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.505 ' HE3' ' CD1' ' A' ' 516' ' ' TRP . 13.3 ttpt -41.95 124.86 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.735 ' CG1' HG23 ' A' ' 513' ' ' ILE . 66.5 t -116.4 141.14 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -101.42 106.83 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 513' ' ' ILE . 18.3 t -106.4 117.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.91 128.88 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.79 35.0 1.93 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.6 mt -82.53 142.22 46.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.3 Cg_exo -46.59 148.47 3.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.56 -0.41 10.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -132.75 36.6 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.5 tt -110.82 139.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -104.39 -178.14 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 441' ' ' ASP . 13.7 tt0 -55.56 -68.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.3 m-20 -36.38 -64.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 441' ' ' ASP . 15.8 mt-10 -35.91 -62.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' ILE . . . . . 0.408 ' CG2' HD21 ' A' ' 475' ' ' LEU . 64.2 mt -45.38 -46.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 448' ' ' ARG . 7.1 m -53.58 -60.51 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.82 -39.78 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -32.26 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' PHE . . . . . 0.58 ' O ' HD22 ' A' ' 453' ' ' LEU . 87.6 m-85 -122.31 27.03 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 444' ' ' THR . 12.0 tpt180 -91.44 -44.85 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -39.9 -49.57 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.3 m-85 -53.89 -40.34 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 158.6 156.32 7.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.79 122.78 4.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -140.57 -175.69 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -140.28 132.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.6 t -88.22 129.26 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -146.04 108.18 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 460' ' ' LYS . 4.2 p90 -100.14 156.62 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.509 0.671 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.94 -23.41 22.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 50.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 457' ' ' TRP . 27.4 tptt -104.58 -54.26 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -54.36 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -43.34 -60.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.8 t -67.8 116.44 8.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 68.41 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.8 t -167.69 160.31 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -87.66 40.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -122.19 141.57 34.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.482 ' CG ' ' O ' ' A' ' 438' ' ' ILE . 62.6 Cg_endo -79.65 169.36 18.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 58.6 Cg_endo -71.92 179.66 4.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.748 2.299 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 13.0 mptt -33.87 -65.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -169.06 72.18 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 37.4 p90 -174.58 121.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -145.23 169.52 18.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.78 121.16 41.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 431' ' ' VAL . 23.5 mt -99.71 121.89 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 31.2 mt -103.12 90.39 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 486' ' ' LEU . 69.9 m-85 -67.62 98.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 477' ' ' PHE . 16.2 tt0 -35.19 -56.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.17 108.29 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.12 -43.86 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 11.4 t -38.94 -53.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.3 m -44.06 -53.34 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 427' ' ' ARG . 72.3 t -38.27 -59.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -48.18 -63.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.54 -49.2 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 25.2 tp -53.8 -57.79 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 69.8 mt -48.32 -55.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -46.1 -44.66 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.35 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 499' ' ' LEU . 65.8 m -62.19 104.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.3 162.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -126.9 140.07 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -117.13 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.97 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 85.14 -26.26 5.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -101.62 155.25 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 14.2 mt -101.25 174.95 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 89.8 m-85 -160.17 125.31 3.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.51 147.58 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 509' ' ' LYS . 26.3 p -96.49 131.8 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 501' ' ' VAL . 20.9 m -138.86 121.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.6 t -101.72 139.66 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.3 p -129.44 164.17 41.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -23.37 6.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.1 p -113.09 -69.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.554 HG21 ' HG3' ' A' ' 509' ' ' LYS . 37.8 mm -74.9 146.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.3 mmtm -88.62 169.02 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.9 m-20 -34.4 108.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' LYS . . . . . 0.554 ' HG3' HG21 ' A' ' 506' ' ' ILE . 9.2 mmmt -106.87 132.32 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 60.7 Cg_endo -78.9 61.88 8.25 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.89 141.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.59 119.05 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.735 HG23 ' CG1' ' A' ' 429' ' ' VAL . 26.3 mm -105.0 107.58 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 516' ' ' TRP . 37.6 ttp180 -120.33 94.45 48.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.76 90.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.505 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 58.0 t-105 -49.16 108.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -115.75 106.41 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 16.5 mt -54.1 -45.53 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 6.3 t -138.92 147.41 42.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.72 46.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 29.1 p -84.86 41.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.72 21.62 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -88.56 141.99 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 89.9 t -135.56 126.25 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 30.1 ttp -120.56 156.78 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.95 154.98 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 46.6 p -152.32 134.26 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 72.04 174.45 22.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.55 112.93 0.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 88.0 p -84.38 -49.35 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 25.1 t 47.46 42.15 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.7 t -88.46 122.5 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.899 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 84.2 p -121.6 109.2 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -99.36 137.44 13.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 36.5 p -50.17 -52.58 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.5 m -51.17 -44.29 61.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -97.35 95.42 1.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m -103.85 164.74 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' ARG . . . . . 0.575 ' HA ' HG21 ' A' ' 483' ' ' VAL . 36.5 mtp180 -45.34 -38.62 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 476' ' ' LEU . 2.3 tppp? -56.92 131.24 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.5 t -132.99 138.48 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -102.66 125.86 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' VAL . . . . . 0.545 HG22 ' CD1' ' A' ' 513' ' ' ILE . 48.2 t -121.53 123.68 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -120.52 155.32 16.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 82.37 42.08 8.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.4 mt -85.8 142.64 36.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.5 Cg_exo -47.08 147.21 5.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.08 -0.57 10.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.83 39.32 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 435' ' ' PRO . 13.5 tt -116.06 128.78 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 442' ' ' GLU . 1.8 p-10 -93.15 177.75 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 441' ' ' ASP . 48.0 tt0 -54.31 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.3 t0 -34.01 -52.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.479 ' CB ' HG13 ' A' ' 438' ' ' ILE . 6.8 mm-40 -47.28 -58.3 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.4 mt -47.63 -51.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 10.8 m -47.55 -60.3 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -47.82 -42.6 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 5.1 t -55.82 -37.4 68.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -120.0 33.56 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -93.4 -45.48 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 6.7 ptp180 -38.53 -45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 79.9 m-85 -58.01 -42.83 86.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.78 -166.38 36.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.81 126.97 9.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -147.72 -179.81 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.4 p -137.52 140.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.465 HG12 ' CE3' ' A' ' 457' ' ' TRP . 21.8 t -97.86 133.05 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -151.54 112.13 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.478 ' CE2' ' HD2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.16 144.59 28.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.92 131.8 13.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 62.33 41.54 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 26.7 tttp -74.7 -52.91 10.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -48.25 -59.93 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 463' ' ' SER . 6.0 mm-40 -53.09 -53.5 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 462' ' ' GLU . 2.3 m -36.03 118.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -88.04 42.24 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 20.9 m -164.25 164.09 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -101.25 42.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -131.68 95.61 22.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.406 ' HA ' ' CD1' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -44.48 170.13 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' PRO . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.3 Cg_exo -46.69 178.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.52 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.16 67.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 41.1 p90 -171.24 130.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 110.938 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -149.17 170.94 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.98 128.59 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 20.3 mt -103.29 146.65 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' LEU . . . . . 0.444 ' CD2' ' HD3' ' A' ' 428' ' ' LYS . 34.1 mt -128.07 100.49 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -80.46 131.17 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -69.0 -55.77 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 480' ' ' GLU . 24.8 mt-10 -79.12 99.91 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 479' ' ' GLU . 35.8 mt-10 -35.31 -43.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 482' ' ' SER . 24.5 t -48.27 -57.7 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 481' ' ' SER . 8.5 t -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' A' ' 427' ' ' ARG . 84.0 t -44.83 -56.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -53.32 -53.48 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.41 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 18.5 tp -52.0 -54.76 25.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 67.1 mt -47.43 -51.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.46 -45.87 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.06 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 42.2 m -58.18 163.37 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 32.7 mt -115.88 139.21 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.86 130.32 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -110.06 -71.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -122.6 50.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.69 18.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.09 153.18 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 19.2 mt -94.17 171.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 498' ' ' TYR . . . . . 0.481 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 44.5 m-85 -159.66 126.42 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 511' ' ' VAL . 23.5 tp -121.51 130.41 53.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 88.8 m -77.72 136.86 38.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 501' ' ' VAL . 33.5 m -137.3 111.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 68.5 m -87.49 125.99 34.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.8 m -119.93 155.01 55.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -21.0 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 46.9 p -120.9 -55.6 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 509' ' ' LYS . 37.9 mm -88.39 102.59 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.5 mmtp -52.12 173.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 507' ' ' LYS . 20.7 p-10 -34.56 107.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 509' ' ' LYS . . . . . 0.481 ' HD2' ' CG2' ' A' ' 506' ' ' ILE . 0.2 OUTLIER -115.61 126.04 28.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.97 93.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 499' ' ' LEU . 15.8 m -83.86 141.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -74.8 111.65 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 431' ' ' VAL . 31.0 mm -99.77 104.32 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -117.71 94.01 44.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.63 90.44 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -74.94 151.39 38.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -118.52 97.11 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.24 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 41.6 t -125.69 129.37 49.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -64.65 162.51 15.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 7.3 t -119.27 162.73 18.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.03 130.21 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -93.04 152.14 19.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 97.5 t -107.2 120.23 58.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.94 98.93 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.91 90.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.5 m 41.22 41.7 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 112.43 140.11 7.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 109.49 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 15.5 m -82.59 147.8 28.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 75.1 m -116.74 174.25 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 428' ' ' LYS . 43.9 mtt180 -70.41 -34.33 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.529 ' HE2' ' CG ' ' A' ' 516' ' ' TRP . 6.1 ttpm? -37.52 148.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 513' ' ' ILE . 30.2 t -139.31 128.15 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -86.98 126.97 35.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 475' ' ' LEU . 3.3 t -121.68 129.53 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.74 116.61 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 132.09 4.38 3.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 56.8 mt -50.32 143.19 13.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.635 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.1 Cg_exo -47.33 150.3 3.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.95 -2.75 12.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -133.73 39.7 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.3 tt -112.4 159.9 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 438' ' ' ILE . 2.7 p30 -122.33 -176.98 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 441' ' ' ASP . 59.0 tt0 -58.39 -73.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.0 t0 -35.74 -60.38 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.31 -53.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.19 -41.54 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 31.9 m -59.02 -59.74 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.31 -40.92 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m -59.37 -27.49 66.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.495 ' HB2' HD11 ' A' ' 453' ' ' LEU . 79.1 m-85 -121.25 17.74 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -79.04 -45.23 20.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -39.96 -50.65 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 65.1 m-85 -54.84 -39.11 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 153.79 161.92 10.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.58 124.48 6.76 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -145.84 177.06 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -138.77 138.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 7.8 t -97.18 134.62 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -157.57 113.12 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CZ2' ' HG2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.55 157.27 34.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.526 0.679 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -24.13 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -119.11 55.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 6.2 tmtt? -110.33 -45.52 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -86.04 -62.29 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -43.92 -50.07 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 71.2 m -97.55 -175.37 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 465' ' ' SER . 32.0 mtmm -114.95 -50.58 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 464' ' ' LYS . 5.0 m -36.43 130.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -98.69 41.79 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -123.82 90.72 50.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.54 103.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.585 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -43.5 146.37 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm 41.08 26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 50.47 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 3.9 p90 -175.23 141.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 457' ' ' TRP . . . -163.02 175.36 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.16 136.59 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 431' ' ' VAL . 7.8 mt -109.61 128.62 55.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 15.6 mt -115.29 90.88 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.425 ' CZ ' HD13 ' A' ' 453' ' ' LEU . 64.8 m-85 -68.28 132.73 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -48.41 -48.77 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -107.46 152.7 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.63 -41.72 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.6 m -40.75 -59.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.2 p -38.88 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.6 t -44.55 -55.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -49.83 -53.57 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.95 -41.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.3 tp -57.02 -57.26 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.475 HG23 HD11 ' A' ' 497' ' ' LEU . 57.3 mt -45.53 -52.45 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -48.35 -49.43 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.09 84.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.14 122.62 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.75 161.48 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.38 117.79 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -129.26 88.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.46 45.66 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 89.12 -41.06 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -68.74 145.31 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 487' ' ' ILE . 60.7 mt -106.38 149.22 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -147.75 132.79 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 21.9 tp -116.49 158.89 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 78.7 m -103.25 131.26 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 501' ' ' VAL . 6.5 m -131.5 107.46 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 87.3 p -79.3 141.76 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 24.7 m -129.98 150.7 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.62 -26.5 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.1 p -109.89 -64.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.6 mm -78.19 145.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.4 mmtp -80.33 168.21 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.7 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -95.63 133.64 25.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.3 Cg_endo -79.88 80.17 3.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.7 m -69.69 151.62 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -87.6 103.21 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.471 HG23 ' CG1' ' A' ' 429' ' ' VAL . 23.0 mm -96.64 107.75 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -123.35 93.49 47.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.7 Cg_exo -46.44 101.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.529 ' CG ' ' HE2' ' A' ' 428' ' ' LYS . 72.4 t-105 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -98.57 0.59 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.533 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 17.4 tttt -96.31 126.93 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.81 126.48 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -84.88 134.46 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 475' ' ' LEU . 22.6 t -126.87 124.27 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -121.59 161.67 15.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.73 25.29 56.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.97 146.74 87.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.598 ' O ' HG22 ' A' ' 438' ' ' ILE . 61.0 Cg_endo -75.02 146.94 33.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -79.37 11.66 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . 0.45 ' CB ' ' OG1' ' A' ' 505' ' ' THR . 3.9 m-20 -125.35 33.71 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.4 tt -127.4 147.37 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -114.4 -177.16 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 25.7 tt0 -52.73 -71.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 21.9 t70 -35.5 -66.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.463 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.3 mt-10 -35.26 -67.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 79.8 mt -42.49 -45.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 448' ' ' ARG . 16.3 m -58.3 -57.22 13.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.9 -29.32 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 47.9 t -69.59 -25.04 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.463 ' O ' HD22 ' A' ' 453' ' ' LEU . 36.6 m-85 -126.38 29.55 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.519 ' HG2' HG22 ' A' ' 444' ' ' THR . 9.1 mmm180 -89.86 -43.74 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -43.1 -30.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.3 m-85 -75.08 -44.43 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 160.82 159.88 10.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.22 124.99 6.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.59 -177.09 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 476' ' ' LEU . 8.1 p -146.28 138.38 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.3 143.1 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -159.62 109.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 14.2 p90 -99.98 148.05 34.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.68 140.81 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.618 2.212 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 58.6 50.13 9.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -96.63 -24.49 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.45 67.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.37 29.81 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 40.0 t -114.02 155.75 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -117.76 -52.07 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 77.6 p -58.14 153.71 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -92.29 40.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.28 142.67 46.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.76 166.56 23.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.578 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 74.8 Cg_exo -48.39 178.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.0 OUTLIER -37.03 -63.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.12 71.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 28.6 p90 -174.83 137.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -156.0 160.98 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 42.1 m-85 -112.99 127.96 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 431' ' ' VAL . 35.8 mt -101.94 138.84 38.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.498 ' HB2' HG13 ' A' ' 454' ' ' VAL . 38.7 mt -120.28 82.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' HD22 ' A' ' 486' ' ' LEU . 52.5 m-85 -58.14 120.17 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -45.6 -52.52 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -101.44 137.22 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.6 -45.4 94.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' SER . 46.2 m -47.03 -53.37 12.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' SER . 12.8 t -37.49 -43.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.32 -56.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -44.96 -42.35 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.18 92.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' A' ' 450' ' ' PHE . 27.0 tp -55.77 -53.63 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 60.3 mt -49.13 -36.32 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.99 -37.26 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 57.8 m -71.06 116.25 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 48.2 mt -55.01 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -154.27 141.85 19.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.19 -72.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -126.57 69.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 80.66 -19.18 7.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -103.13 148.26 25.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 54.7 mt -97.27 166.48 11.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 91.3 m-85 -159.1 141.97 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 24.1 tp -126.22 147.94 49.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.82 136.34 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 501' ' ' VAL . 26.7 m -138.44 124.71 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.0 p -94.46 146.82 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.6 t -131.8 146.33 61.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.49 -22.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 437' ' ' ASP . 43.1 p -116.89 -51.63 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 507' ' ' LYS . 11.1 mm -83.34 159.32 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 506' ' ' ILE . 16.5 mmtm -97.14 165.89 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 507' ' ' LYS . 21.5 p-10 -35.61 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.23 133.91 20.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.24 99.21 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.45 142.07 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -84.71 109.79 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.3 119.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -124.62 91.44 49.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.31 131.07 22.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.486 ' CB ' ' O ' ' A' ' 428' ' ' LYS . 22.0 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 483' ' ' VAL . 71.3 mtm180 -84.5 -56.4 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HA ' HD23 ' A' ' 476' ' ' LEU . 26.6 tttt -35.67 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 427' ' ' ARG . 46.9 t -146.34 120.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -81.01 120.05 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.552 HG22 HD12 ' A' ' 513' ' ' ILE . 17.6 t -121.04 117.93 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -122.21 131.23 8.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.18 37.28 1.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.18 140.68 36.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.472 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.76 147.06 7.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.01 2.49 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 31.71 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.7 tt -109.0 140.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.76 -176.8 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.79 -61.49 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 442' ' ' GLU . 11.2 t70 -42.19 -66.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 441' ' ' ASP . 48.4 mm-40 -35.13 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.4 mt -48.45 -45.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 18.0 m -62.73 -54.71 35.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.68 -25.87 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 14.5 m -72.28 -23.11 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.45 ' HB2' HD11 ' A' ' 453' ' ' LEU . 51.9 m-85 -122.53 13.92 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.37 -42.37 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -43.79 -32.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 85.5 m-85 -74.63 -45.69 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 158.47 166.32 17.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.79 125.58 8.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -146.86 -176.41 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.1 p -149.28 140.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 10.0 t -96.38 142.55 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -156.21 108.99 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 9.8 p90 -98.73 150.33 36.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.29 131.51 11.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 3.6 m-70 61.37 47.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.67 -60.78 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -45.7 -59.77 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -47.85 -46.09 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 11.7 m -77.44 155.29 31.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 465' ' ' SER . 63.3 mttt -115.08 -58.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 464' ' ' LYS . 21.9 m -36.17 152.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -95.45 38.38 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -123.35 91.98 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.577 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.81 165.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.5 Cg_exo -46.95 179.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 469' ' ' PRO . 19.2 mmmt -33.64 -59.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.86 60.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 16.8 p90 -159.66 130.32 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.73 168.42 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.532 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 58.6 m-85 -118.23 123.53 45.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.42 134.41 42.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 428' ' ' LYS . 19.7 mt -119.88 92.5 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 486' ' ' LEU . 90.7 m-85 -66.58 115.37 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.72 -48.03 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.2 mm-40 -97.29 103.36 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 479' ' ' GLU . 50.2 mt-10 -37.14 -42.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.6 m -44.77 -47.88 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 64.1 m -45.04 -55.14 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 427' ' ' ARG . 94.1 t -38.83 -52.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -49.65 -59.3 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.13 50.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.458 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 36.3 tp -53.07 -56.19 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.5 mt -47.65 -47.77 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.98 -45.14 71.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.33 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.7 121.57 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.64 157.28 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -107.07 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.61 86.73 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 13.6 t0 64.64 41.9 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 95.72 -36.79 3.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -72.99 155.21 40.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 487' ' ' ILE . 40.6 mt -114.42 144.44 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -141.17 139.55 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 486' ' ' LEU . 26.2 tp -121.81 149.93 42.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.1 m -101.82 133.17 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 501' ' ' VAL . 29.7 m -139.05 118.4 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 2.0 t -99.91 133.65 43.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 157.32 40.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.3 -19.53 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 61.2 p -118.76 -47.38 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.8 mm -88.53 146.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.6 mmtm -87.55 170.65 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 507' ' ' LYS . 1.1 m-20 -36.71 105.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -108.0 130.36 22.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.2 84.71 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.399 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.92 139.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -73.69 106.34 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.552 HD12 HG22 ' A' ' 431' ' ' VAL . 15.3 mm -100.37 97.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.2 ttt180 -117.42 93.65 43.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.87 89.76 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 514' ' ' ARG . 37.0 t-105 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.423 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 72.3 mtm180 -76.56 -40.28 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -62.98 106.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.453 HG11 HD21 ' A' ' 486' ' ' LEU . 62.1 t -105.09 127.42 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.41 118.93 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.01 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.75 19.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.31 20.79 24.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 41.4 mt -76.18 142.34 71.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.511 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.7 Cg_exo -47.63 147.27 6.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.02 3.44 7.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.69 21.87 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -96.16 131.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.53 179.13 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 27.3 tt0 -51.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 17.9 t70 -34.39 -62.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.434 ' CB ' HG13 ' A' ' 438' ' ' ILE . 16.2 mt-10 -41.23 -65.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.535 HD13 HG11 ' A' ' 455' ' ' VAL . 69.0 mt -43.28 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.2 m -48.93 -56.46 8.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.5 -34.51 49.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . 0.521 ' OG ' HG12 ' A' ' 501' ' ' VAL . 1.5 t -68.61 -20.95 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -121.22 8.7 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -75.75 -5.38 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.24 6.86 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 486' ' ' LEU . 65.5 m-85 -119.67 -29.57 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 143.65 165.08 10.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.58 122.76 5.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.07 -176.57 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 454' ' ' VAL . 8.7 p -147.57 130.04 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.535 HG11 HD13 ' A' ' 443' ' ' ILE . 3.1 t -92.46 123.65 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.31 100.86 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 18.3 p90 -93.61 158.55 36.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 118.53 2.21 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 60.61 50.05 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.489 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 12.1 tmtt? -84.96 -53.9 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.23 94.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 25.2 m -65.51 137.34 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -84.21 -39.82 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 42.2 t -72.06 140.23 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -88.87 41.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -115.53 95.11 42.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.36 166.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.266 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 470' ' ' LYS . 59.3 Cg_endo -72.82 -173.94 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 469' ' ' PRO . 0.0 OUTLIER -32.42 -69.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -175.21 61.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 6.6 p90 -156.0 123.83 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -142.48 164.1 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.06 111.06 19.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 55.9 mt -84.14 137.38 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 50.5 mt -124.89 77.65 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -54.03 138.67 36.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.73 -52.56 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.91 151.47 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -74.33 -39.78 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 75.0 m -44.52 -51.83 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 83.7 p -45.07 -41.2 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 92.7 t -49.41 -58.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.58 -45.62 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 450' ' ' PHE . 15.0 tp -52.88 -46.25 67.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.9 mt -67.13 -22.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -82.19 -34.06 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -86.45 -30.14 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 499' ' ' LEU . 68.5 m -82.65 117.53 22.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.75 178.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -145.24 139.86 27.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -115.81 -72.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.33 70.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.62 -22.7 6.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -102.77 153.27 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.57 171.11 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -156.71 118.63 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 511' ' ' VAL . 13.8 tp -110.47 143.82 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 25.2 p -96.7 129.99 44.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.521 HG12 ' OG ' ' A' ' 446' ' ' SER . 8.2 m -127.13 126.63 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 98.2 p -107.74 119.91 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.9 p -109.77 158.14 35.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.9 -24.44 3.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 81.2 p -109.1 -66.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 34.5 mm -73.74 149.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 26.1 mmtt -91.51 171.27 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.8 m-20 -34.13 106.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.825 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -115.03 133.48 22.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.36 90.75 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.547 HG23 HD11 ' A' ' 513' ' ' ILE . 3.0 m -76.24 132.9 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -68.86 106.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 511' ' ' VAL . 16.1 mm -101.7 110.2 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 516' ' ' TRP . 54.3 mtp180 -127.48 94.01 39.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.04 85.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 514' ' ' ARG . 32.3 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 429' ' ' VAL . 13.0 mtm105 -95.11 -45.39 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -51.64 129.16 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.638 ' CG1' HG23 ' A' ' 513' ' ' ILE . 42.9 t -127.25 123.81 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -85.93 125.51 33.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.726 HG22 ' CD1' ' A' ' 513' ' ' ILE . 58.7 t -120.91 112.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.14 119.62 4.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.3 35.57 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.96 142.39 48.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.575 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.73 146.33 8.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.0 0.4 10.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.34 30.0 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.1 tt -110.08 142.72 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -108.96 -179.38 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.1 tt0 -51.68 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 21.5 t0 -36.65 -66.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.452 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.4 mt-10 -35.14 -61.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 82.2 mt -47.07 -44.24 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.425 HG22 ' HG2' ' A' ' 448' ' ' ARG . 5.0 m -59.45 -59.93 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.52 -27.65 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 54.8 m -69.63 -25.45 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -126.34 26.16 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 451' ' ' GLY . 9.0 mmt180 -83.4 -49.31 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 448' ' ' ARG . 7.0 ptm180 -38.32 -38.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 49.9 m-85 -66.53 -41.75 88.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 154.12 161.28 10.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.74 122.99 5.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' A' ' 477' ' ' PHE . 2.3 pt? -144.6 -175.57 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 476' ' ' LEU . 2.6 p -146.21 146.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.22 128.97 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -139.93 110.72 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ2' ' HE2' ' A' ' 460' ' ' LYS . 11.3 p90 -99.42 144.3 28.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 138.21 10.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . 0.48 ' CG ' ' OE2' ' A' ' 462' ' ' GLU . 10.6 m170 61.83 43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.554 ' HE2' ' CZ2' ' A' ' 457' ' ' TRP . 19.7 tptp -77.2 -44.57 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.92 -58.83 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.48 ' OE2' ' CG ' ' A' ' 459' ' ' HIS . 1.2 pt-20 -49.72 -25.34 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 31.6 t -93.76 159.33 15.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -104.52 -62.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 66.6 m -48.81 165.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 467' ' ' PHE . 13.3 p90 -96.89 -48.41 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 466' ' ' TYR . 13.9 m-85 -33.78 96.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' TYR . 72.9 Cg_exo -43.45 163.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.1 Cg_exo -46.19 177.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.3 mptt -34.08 -51.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.56 71.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 32.1 p90 -170.85 125.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.68 161.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.23 142.07 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 73.3 mt -112.01 137.14 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.566 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.0 mt -119.18 110.18 16.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.502 ' CE1' HD13 ' A' ' 453' ' ' LEU . 90.2 m-85 -91.23 115.44 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -49.96 -51.0 44.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -92.57 111.35 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -45.2 -43.04 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.7 t -44.71 -46.73 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 57.9 m -47.32 -41.79 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 427' ' ' ARG . 75.4 t -48.5 -46.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.14 -67.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -38.56 -37.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.8 tp -63.38 -60.57 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 497' ' ' LEU . 79.7 mt -45.99 -53.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -49.79 -45.57 49.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.03 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 49.2 m -58.09 121.98 11.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.47 156.23 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -107.37 129.6 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -147.35 106.93 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.91 48.55 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 62.8 29.25 73.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -132.39 156.28 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.631 HD11 HG23 ' A' ' 487' ' ' ILE . 29.7 mt -105.2 141.16 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -144.83 127.28 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.3 tp -114.97 149.37 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.4 m -98.46 132.57 43.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -134.97 115.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 19.5 p -83.87 153.33 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 m -142.11 149.91 53.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.85 -36.52 15.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 7.9 p -103.81 -45.58 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 mm -93.11 142.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 35.9 mmtt -85.42 172.54 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.4 p-10 -34.29 100.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 509' ' ' LYS . 0.1 OUTLIER -106.22 126.93 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.92 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.6 Cg_endo -78.56 105.86 2.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.7 m -92.51 155.28 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.49 102.56 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.726 ' CD1' HG22 ' A' ' 431' ' ' VAL . 46.9 mm -98.0 100.0 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -115.27 91.27 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.77 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 480' ' ' GLU . 61.4 mtm-85 -59.73 -46.24 89.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.63 134.44 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 63.3 t -135.86 125.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -89.87 112.8 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 34.8 t -109.1 136.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -129.3 163.5 22.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 73.62 36.18 54.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.2 140.95 69.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.9 Cg_exo -47.88 144.69 11.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.03 3.56 7.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.677 2.252 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.98 32.97 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.9 tt -110.96 155.71 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.33 -175.09 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.7 tm-20 -58.04 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.7 t0 -36.15 -49.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.412 ' CB ' HG13 ' A' ' 438' ' ' ILE . 13.4 mm-40 -52.01 -60.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.2 mt -47.76 -37.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 448' ' ' ARG . 47.6 m -62.65 -59.48 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.41 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.2 m -56.6 -32.76 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.443 ' O ' HD22 ' A' ' 453' ' ' LEU . 68.4 m-85 -120.15 35.24 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.659 ' HG2' HG22 ' A' ' 444' ' ' THR . 8.7 mmm180 -96.72 -31.11 12.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -55.43 -18.87 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 71.3 m-85 -89.45 -41.62 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.65 -173.68 41.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.02 120.53 5.78 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -138.22 173.87 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 454' ' ' VAL . 12.2 p -131.41 128.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.48 118.97 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.01 98.3 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 15.5 p90 -99.65 148.95 35.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 136.59 8.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 62.36 51.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 33.4 tttp -108.92 -45.78 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.2 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.52 -46.8 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 28.2 t -47.23 144.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -87.86 -55.07 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 40.9 m -63.92 141.37 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -84.7 44.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.96 144.29 34.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.694 0.759 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.43 ' HA ' ' CE2' ' A' ' 457' ' ' TRP . 61.5 Cg_endo -77.18 169.63 21.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.579 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -73.89 -175.97 2.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 469' ' ' PRO . 5.7 mtpm? -33.28 -57.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.25 72.86 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 33.3 p90 -175.09 119.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -139.23 164.16 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.87 110.44 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.29 122.14 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 89.1 mt -106.61 84.63 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.52 123.58 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -47.91 -60.24 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.3 136.58 36.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.458 ' HG3' ' CG ' ' A' ' 427' ' ' ARG . 15.4 mt-10 -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.8 t -41.74 -54.69 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 56.1 p -42.97 -40.93 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.57 -58.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.79 -55.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.63 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.536 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 30.3 tp -60.35 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 497' ' ' LEU . 68.5 mt -43.16 -53.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.06 -36.77 65.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.67 114.05 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.04 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -149.25 140.97 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.67 -73.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -126.77 70.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.39 -29.75 3.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -98.87 153.95 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 487' ' ' ILE . 25.3 mt -94.84 167.08 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.419 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 95.8 m-85 -158.09 121.81 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.39 143.86 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -98.96 136.73 38.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.42 118.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -98.57 114.64 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.6 p -100.28 155.36 36.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.65 -20.69 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 18.7 p -119.42 -67.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.13 134.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -68.64 172.56 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.63 111.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -106.44 128.92 25.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.46 87.54 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 14.7 m -84.39 137.54 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -73.84 142.54 46.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.8 mm -123.99 119.92 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 516' ' ' TRP . 1.2 mmp_? -131.93 87.78 43.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 84.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 514' ' ' ARG . 45.4 t-105 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.742 ' HA ' HG21 ' A' ' 483' ' ' VAL . 4.7 mtt85 -89.93 -42.54 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' A' ' 516' ' ' TRP . 17.6 tttp -45.83 146.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t -137.54 143.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -106.03 117.94 35.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 42.9 t -119.18 120.12 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.49 138.52 13.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.92 3.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.14 141.19 49.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -48.07 147.42 8.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.322 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 0.39 10.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -133.32 36.6 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.8 tt -120.77 133.13 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 439' ' ' ASP . 41.4 p30 -101.02 -174.83 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.0 tt0 -55.41 -69.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.4 m-20 -33.76 -64.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 442' ' ' GLU . 0.1 OUTLIER -42.12 -57.16 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 97.4 mt -50.0 -44.44 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 448' ' ' ARG . 35.4 m -55.94 -55.78 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.71 -36.64 57.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 68.1 m -62.37 -33.35 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 499' ' ' LEU . 64.3 m-85 -121.63 22.17 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 444' ' ' THR . 13.0 tpt180 -83.07 -45.8 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 448' ' ' ARG . 13.8 ptm180 -36.09 -50.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.63 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.2 m-85 -54.56 -47.66 72.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.31 160.88 12.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.09 128.0 11.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.05 -176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.9 p -144.42 134.86 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.98 137.39 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.49 109.92 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 7.7 p90 -100.03 158.05 32.74 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.74 152.65 53.27 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 13.5 m170 63.83 43.56 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 463' ' ' SER . 37.7 tttm -93.25 -53.38 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -40.26 -53.12 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -83.31 36.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 460' ' ' LYS . 10.3 t -114.71 144.78 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.98 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 80.4 p -117.65 153.58 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -88.71 34.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -111.4 98.27 39.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -42.74 165.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -46.04 176.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -40.54 -54.35 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.54 64.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 27.1 p90 -169.55 128.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.928 0.394 . . . . 0.0 110.93 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.94 175.2 10.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -122.31 137.84 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 23.6 mt -114.22 136.98 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 22.0 mt -117.45 90.2 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -60.32 -65.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.07 121.15 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -48.09 -37.48 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.4 m -49.48 -51.41 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 5.9 m -43.51 -43.88 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.742 HG21 ' HA ' ' A' ' 427' ' ' ARG . 91.4 t -48.52 -53.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -59.03 -52.99 63.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.72 50.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.63 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.2 tp -57.86 -51.88 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 497' ' ' LEU . 49.8 mt -56.36 -42.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.6 -41.17 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.82 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 80.5 m -67.47 112.34 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.67 178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -141.4 138.64 33.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -70.29 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -133.7 72.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.57 -28.12 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -102.65 153.16 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.871 HD11 HG23 ' A' ' 487' ' ' ILE . 16.0 mt -92.19 174.09 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 92.1 m-85 -159.93 119.99 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 511' ' ' VAL . 15.5 tp -111.16 135.77 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.7 m -86.59 136.56 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.5 m -134.5 117.45 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 78.1 p -100.01 124.76 45.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.1 m -113.09 158.85 36.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.11 -21.88 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 32.9 p -120.3 -53.19 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 49.5 mm -78.61 142.11 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 508' ' ' ASP . 1.2 mmmm -86.62 167.53 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.2 p-10 -35.12 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -103.08 127.02 30.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.27 84.8 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 499' ' ' LEU . 4.8 m -73.15 144.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -80.05 107.57 12.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.0 107.26 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -125.91 93.05 44.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.735 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 90.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 428' ' ' LYS . 45.7 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 477' ' ' PHE . 6.3 mtp-105 -87.76 -35.11 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.444 ' CG ' HD21 ' A' ' 476' ' ' LEU . 20.4 mtmm -58.97 131.26 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.682 HG21 ' HE2' ' A' ' 477' ' ' PHE . 92.5 t -126.1 125.4 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -88.57 108.8 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 513' ' ' ILE . 19.2 t -106.21 118.66 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -117.13 171.29 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.35 77.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.08 143.6 35.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.14 142.96 8.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -80.1 14.5 1.91 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.721 2.28 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 438' ' ' ILE . 1.6 m-20 -132.77 -38.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 437' ' ' ASP . 15.4 tt -36.95 137.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.49 -174.83 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 441' ' ' ASP . 32.7 tt0 -61.28 -70.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 440' ' ' GLU . 0.5 OUTLIER -34.1 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 441' ' ' ASP . 9.9 mt-10 -34.47 -63.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 87.9 mt -39.91 -56.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.3 m -50.02 -54.85 17.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.14 -28.46 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.5 t -69.7 -20.76 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.33 12.83 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -69.7 -42.39 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -39.85 -49.87 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.3 m-85 -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.87 -167.75 39.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 123.72 7.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.3 pt? -144.65 -175.54 4.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.42 145.84 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.51 118.48 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.68 113.21 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 460' ' ' LYS . 3.0 p90 -99.89 159.1 30.8 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.86 -54.79 3.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 463' ' ' SER . 94.1 m-70 -97.97 74.78 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 457' ' ' TRP . 37.7 tttm -108.12 -55.3 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.87 -58.05 10.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.61 -49.82 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 459' ' ' HIS . 27.8 t -46.6 120.24 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -30.63 23.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 12.1 p -78.22 -179.08 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 467' ' ' PHE . 34.2 p90 -116.07 21.15 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 42.0 m-85 -107.86 94.93 13.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 466' ' ' TYR . 74.7 Cg_exo -43.19 165.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.4 Cg_exo -45.87 177.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.9 ttmm -35.51 -59.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -173.57 49.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 6.9 p90 -147.15 137.34 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.31 164.15 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -114.98 119.74 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.475 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.4 mt -96.46 135.27 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 428' ' ' LYS . 41.7 mt -116.6 95.81 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.682 ' HE2' HG21 ' A' ' 429' ' ' VAL . 82.3 m-85 -69.23 109.46 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -46.67 -41.48 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -102.7 118.55 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -49.64 -32.76 13.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' SER . 37.5 p -54.83 -55.84 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 481' ' ' SER . 23.1 m -37.53 -45.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.96 -52.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 485' ' ' ALA . 66.8 tp60 -55.62 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 484' ' ' GLN . . . -34.39 -39.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.527 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 17.5 tp -63.68 -57.34 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 497' ' ' LEU . 95.4 mt -48.38 -34.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.42 -36.37 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.29 -42.38 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.37 111.2 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.3 mt -44.39 164.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -118.21 122.74 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.28 87.82 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 20.3 t0 72.06 41.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.44 -35.04 3.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.56 163.26 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 487' ' ' ILE . 81.6 mt -119.74 151.72 38.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -148.33 146.99 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.3 tp -129.42 143.66 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.55 132.54 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 501' ' ' VAL . 12.4 m -144.02 121.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -110.54 130.3 55.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 506' ' ' ILE . 49.3 m -106.83 155.71 38.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.58 -19.51 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 41.2 p -116.18 -34.11 4.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 503' ' ' SER . 48.2 mm -105.06 144.55 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -87.1 164.9 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -33.82 110.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -117.44 128.75 25.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 92.59 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.615 HG23 HD11 ' A' ' 513' ' ' ILE . 11.7 m -80.67 132.46 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.92 103.67 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.615 HD11 HG23 ' A' ' 511' ' ' VAL . 6.8 mm -96.71 113.12 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 516' ' ' TRP . 7.8 mtp-105 -127.12 93.24 42.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.9 87.83 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 514' ' ' ARG . 53.9 t-105 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -97.46 -31.42 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.539 ' HE2' HD21 ' A' ' 476' ' ' LEU . 3.4 tppp? -56.46 137.35 53.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.65 116.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -83.95 132.11 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 475' ' ' LEU . 26.9 t -125.7 121.45 59.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.27 117.6 2.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 128.91 19.59 1.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 26.9 mt -67.89 144.29 97.11 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.585 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.2 Cg_exo -46.5 148.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.265 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.63 0.39 10.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -134.84 37.46 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.8 tt -113.18 136.36 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -97.57 172.77 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 441' ' ' ASP . 65.3 tt0 -50.05 -68.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 10.0 t0 -37.48 -64.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 441' ' ' ASP . 6.8 mm-40 -36.32 -61.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 59.7 mt -42.79 -57.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.487 HG22 ' HG2' ' A' ' 448' ' ' ARG . 25.7 m -47.63 -57.05 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.82 -29.66 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -71.48 -25.25 62.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.562 ' O ' HD22 ' A' ' 453' ' ' LEU . 81.9 m-85 -121.38 23.66 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.487 ' HG2' HG22 ' A' ' 444' ' ' THR . 7.3 mmm180 -82.1 -50.83 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 448' ' ' ARG . 9.4 ptm180 -34.83 -53.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 67.7 m-85 -53.04 -42.73 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 156.47 158.87 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.43 125.87 7.88 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.14 -175.18 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 13.0 p -146.05 131.74 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 475' ' ' LEU . 12.5 t -93.45 113.98 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -128.44 114.78 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.526 ' CE2' ' HG2' ' A' ' 460' ' ' LYS . 6.0 p90 -100.05 159.31 30.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.13 125.43 6.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 62.65 37.84 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.526 ' HG2' ' CE2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -56.46 -51.64 67.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . 0.474 ' HB3' ' OE2' ' A' ' 462' ' ' GLU . . . -35.07 -44.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 461' ' ' ALA . 2.3 mp0 -91.96 125.92 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 75.9 p -169.27 153.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -109.51 -64.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.2 t -105.83 178.56 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . 0.543 ' O ' ' CD2' ' A' ' 466' ' ' TYR . 30.1 p90 -85.9 38.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.6 102.34 35.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.09 148.35 39.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 73.5 Cg_exo -47.44 -179.25 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 21.6 mtmm -33.82 149.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -47.19 90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 470' ' ' LYS . 11.4 p90 -174.96 135.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -168.16 171.4 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.24 122.32 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.621 HD11 HG21 ' A' ' 431' ' ' VAL . 13.8 mt -96.03 148.5 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 428' ' ' LYS . 27.5 mt -130.15 96.36 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 478' ' ' GLN . 79.8 m-85 -73.58 109.98 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 477' ' ' PHE . 11.9 tt0 -37.64 -56.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.51 156.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -42.67 21.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' SER . 26.5 t -42.04 -59.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' SER . 59.4 p -36.05 -51.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.53 -57.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -45.85 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.41 -35.23 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.5 tp -64.92 -52.07 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.585 HG23 HD11 ' A' ' 497' ' ' LEU . 76.3 mt -56.18 -56.68 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.15 -40.5 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.23 56.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 81.1 m -65.48 142.36 58.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 28.2 mt -91.11 138.07 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -111.98 133.45 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.3 -70.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -122.15 84.67 2.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.19 16.9 3.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -139.5 144.42 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.585 HD11 HG23 ' A' ' 487' ' ' ILE . 41.1 mt -97.72 169.83 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 78.0 m-85 -158.13 126.19 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 511' ' ' VAL . 22.3 tp -118.48 135.13 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 76.3 m -89.69 132.81 34.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 501' ' ' VAL . 17.4 m -133.52 118.19 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 12.0 m -91.55 117.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 49.3 m -102.89 155.2 36.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.04 -31.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 38.1 p -106.23 -60.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.24 137.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 508' ' ' ASP . 11.3 mmtp -75.9 172.6 12.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.7 OUTLIER -34.23 106.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.18 126.25 30.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.88 89.81 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 499' ' ' LEU . 5.6 m -79.28 147.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -84.15 101.71 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 431' ' ' VAL . 22.8 mm -96.28 115.41 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 516' ' ' TRP . 19.4 ttm180 -127.32 93.41 41.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.72 84.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.373 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 514' ' ' ARG . 46.7 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.497 ' HA ' HG21 ' A' ' 483' ' ' VAL . 55.9 mtm-85 -75.68 -43.52 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 474' ' ' PHE . 15.1 tttp -43.78 144.39 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 427' ' ' ARG . 88.3 t -140.11 127.63 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.54 127.24 35.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 513' ' ' ILE . 18.6 t -126.21 116.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.84 153.55 16.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 85.91 36.11 10.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.9 mt -79.13 142.47 59.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.593 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.9 Cg_exo -47.2 146.36 6.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.29 1.76 8.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -131.56 31.73 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -112.29 150.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.56 ' OD1' ' CE1' ' A' ' 467' ' ' PHE . 0.2 OUTLIER -118.4 -176.28 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 441' ' ' ASP . 6.0 tm-20 -55.28 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.4 t70 -34.34 -59.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.89 -57.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 468' ' ' PRO . 65.9 mt -48.43 -51.98 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 448' ' ' ARG . 5.4 m -48.57 -52.78 21.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.8 -33.88 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 63.8 m -67.1 -28.47 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.458 ' CE2' HD23 ' A' ' 499' ' ' LEU . 58.7 m-85 -124.77 25.63 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.6 tpp180 -87.24 -43.82 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 448' ' ' ARG . 18.8 ptt180 -37.36 -49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 52.2 m-85 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.62 -169.42 37.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.21 127.09 9.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -149.13 177.92 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -136.79 137.79 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 9.7 t -91.95 139.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -152.0 108.95 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.591 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.8 p90 -100.03 149.31 35.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.93 -54.57 5.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -77.33 57.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 25.3 tttt -134.18 -53.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.81 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.47 -52.69 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 26.5 m -115.15 79.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.24 144.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 3.0 m -174.99 -178.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 466' ' ' TYR . 1.1 p90 -117.6 -23.7 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . 0.56 ' CE1' ' OD1' ' A' ' 439' ' ' ASP . 7.9 m-85 -97.48 108.81 47.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.529 ' HG2' HD11 ' A' ' 443' ' ' ILE . 74.3 Cg_exo -48.2 160.34 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.9 Cg_exo -46.21 178.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -39.22 -38.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 169.26 66.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 31.9 p90 -175.04 123.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.33 170.07 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 428' ' ' LYS . 60.6 m-85 -117.75 138.43 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.465 ' HB3' HD12 ' A' ' 453' ' ' LEU . 32.8 mt -112.57 129.61 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 18.8 mt -110.52 96.2 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -73.44 134.01 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -66.87 -58.77 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.85 109.51 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -42.01 -43.91 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 38.7 t -42.93 -56.51 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 99.9 p -39.91 -52.81 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 427' ' ' ARG . 88.1 t -38.39 -50.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -55.65 -58.76 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.19 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 29.2 tp -65.69 -54.75 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 497' ' ' LEU . 78.2 mt -51.69 -50.92 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.45 -43.64 68.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.93 77.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 63.6 m -65.04 109.42 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.85 -178.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -147.05 142.16 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -125.58 -70.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.16 89.96 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.66 14.52 2.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -137.88 147.13 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 487' ' ' ILE . 27.2 mt -97.56 170.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.6 m-85 -158.95 139.1 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 447' ' ' PHE . 32.3 tp -128.84 148.5 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.05 131.13 41.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 501' ' ' VAL . 19.7 m -129.0 113.8 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 85.3 p -86.54 139.21 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.7 m -129.1 156.29 78.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.65 -39.77 18.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 39.7 p -101.55 -60.83 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.1 mm -76.18 149.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 508' ' ' ASP . 23.2 mmtm -90.73 171.45 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.67 105.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -105.24 132.08 21.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.11 93.94 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.55 146.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -81.76 104.62 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 431' ' ' VAL . 41.0 mm -96.73 109.31 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -127.53 93.21 41.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.88 97.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.882 0.372 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.585 ' O ' HG23 ' A' ' 429' ' ' VAL . 52.7 mtm180 -63.44 -44.81 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.487 ' HG2' HD21 ' A' ' 476' ' ' LEU . 14.2 mmtm -55.54 112.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.6 t -114.6 104.33 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.92 123.51 21.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.43 134.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.25 159.79 23.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 81.38 17.74 70.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.66 141.52 79.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.723 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.6 Cg_exo -47.24 145.85 7.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 4.07 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -132.87 30.66 4.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.8 tt -109.94 162.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.73 -174.92 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -59.31 -61.54 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 442' ' ' GLU . 3.3 m-20 -45.95 -65.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 441' ' ' ASP . 10.1 mm-40 -34.45 -61.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.9 mt -45.52 -42.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 441' ' ' ASP . 38.3 m -61.76 -60.94 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.83 -25.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 21.3 t -74.38 -23.53 59.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 453' ' ' LEU . 37.9 m-85 -121.68 18.91 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -83.98 -22.68 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -52.14 -33.56 40.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 63.7 m-85 -80.13 -30.08 38.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 148.93 160.05 8.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.48 127.24 7.46 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.4 pt? -146.67 168.29 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 476' ' ' LEU . 14.9 p -130.37 132.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.57 147.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.86 108.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CH2' ' NZ ' ' A' ' 460' ' ' LYS . 5.4 p90 -99.04 153.1 37.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.539 0.685 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.98 -61.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.23 71.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.481 ' NZ ' ' CH2' ' A' ' 457' ' ' TRP . 21.0 tttp -121.32 -69.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.28 69.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.12 33.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 4.1 t -132.27 173.03 11.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -115.62 -44.36 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 28.8 t -84.98 159.68 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -105.95 31.31 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -110.68 97.0 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.36 102.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.589 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -44.04 152.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 469' ' ' PRO . 12.0 tttp 35.71 31.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 45.57 93.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.43 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 4.4 p90 -175.25 138.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -161.89 165.68 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.063 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -113.95 123.36 49.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 19.7 mt -89.4 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.524 ' HB2' HG13 ' A' ' 454' ' ' VAL . 27.2 mt -120.01 79.65 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.08 116.64 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -39.08 -44.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -111.45 149.03 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -72.01 -42.26 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 482' ' ' SER . 40.0 t -39.78 -62.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 481' ' ' SER . 51.8 p -35.29 -52.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 482' ' ' SER . 96.6 t -34.37 -48.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -55.89 -53.85 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -52.71 -30.51 32.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 23.9 tp -69.5 -52.43 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.466 HG23 HD11 ' A' ' 497' ' ' LEU . 57.7 mt -53.47 -43.01 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.51 -45.9 90.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.88 80.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.47 115.86 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.31 -178.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 492' ' ' GLU . 6.6 tm-20 -142.42 138.46 31.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' A' ' 492' ' ' GLU . 9.7 tt0 -116.49 -72.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.85 71.34 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 81.88 -23.85 4.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -102.97 152.89 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 24.3 mt -94.31 170.87 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 70.5 m-85 -160.36 129.99 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.1 tp -123.86 130.52 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.51 142.17 34.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.99 113.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 99.3 p -88.29 131.99 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.2 m -116.66 156.84 47.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -22.31 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 42.8 p -120.67 -63.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.32 145.7 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.6 mmmt -84.62 166.46 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.8 OUTLIER -34.66 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -107.62 130.95 22.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.69 101.83 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 499' ' ' LEU . 3.3 m -96.25 125.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . 0.463 ' O ' HD13 ' A' ' 513' ' ' ILE . 16.6 mt-30 -57.7 141.53 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 512' ' ' GLN . 18.4 mm -128.45 129.54 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.1 ttt180 -145.6 105.03 4.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.67 78.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 514' ' ' ARG . 76.7 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 483' ' ' VAL . 76.9 mtm180 -57.05 -58.36 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 48.6 tttp -35.52 128.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 427' ' ' ARG . 60.0 t -122.05 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -98.69 113.34 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 37.2 t -112.83 116.84 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.02 139.39 15.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 102.48 31.69 5.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.3 mt -78.24 142.12 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.642 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.7 Cg_exo -47.62 146.37 7.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.85 -0.12 10.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -134.97 38.69 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.0 tt -113.1 141.26 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.29 -176.26 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.1 tt0 -60.01 -70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 440' ' ' GLU . 1.5 m-20 -34.15 -59.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.27 -47.86 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 11.4 m -52.87 -55.78 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.73 -38.52 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 499' ' ' LEU . 91.6 m-85 -121.11 33.43 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -97.5 -41.9 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -24.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.518 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.8 m-85 -78.06 -37.19 47.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 155.55 157.8 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 119.35 2.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -138.85 -177.11 4.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.8 p -141.07 134.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.45 HG12 ' CE3' ' A' ' 457' ' ' TRP . 45.5 t -87.3 117.52 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.27 102.03 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.457 ' HB2' ' CD ' ' A' ' 469' ' ' PRO . 9.0 p90 -99.84 155.41 36.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 149.07 61.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 7.9 m170 65.46 53.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 461' ' ' ALA . 22.6 tttt -100.54 -58.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -36.74 -56.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -50.01 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 27.7 m -79.83 84.52 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.18 78.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.4 t -169.33 158.86 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -88.69 38.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.01 126.91 26.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.451 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 62.5 Cg_endo -77.99 159.93 30.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.8 Cg_exo -46.28 178.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 86.4 mttt -34.02 -49.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 179.17 68.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.7 p90 -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -147.11 171.69 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.546 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 84.2 m-85 -120.43 120.15 35.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.63 125.62 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 53.0 mt -110.33 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -52.27 149.19 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -76.55 -62.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -90.15 115.3 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.26 -37.16 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 48.1 m -52.02 -42.25 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 59.8 p -56.0 -27.36 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 427' ' ' ARG . 99.9 t -63.71 -49.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -51.33 -55.48 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.02 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.518 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 23.1 tp -55.81 -60.94 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.9 mt -42.95 -58.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.45 -42.53 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.06 80.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 56.6 m -66.3 113.28 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.48 -177.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.46 138.72 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -117.91 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -125.34 70.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.42 -29.31 3.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -98.24 154.83 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 22.6 mt -95.15 170.87 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 96.8 m-85 -159.79 134.17 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 447' ' ' PHE . 19.7 tp -120.62 141.68 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.3 m -92.83 129.11 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 501' ' ' VAL . 16.7 m -126.79 114.59 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 23.9 p -90.13 130.16 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 36.9 m -117.66 157.64 47.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.89 -19.54 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 31.0 p -131.02 -65.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.91 103.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -46.67 171.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -42.5 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -108.02 134.33 20.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.73 92.15 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.96 147.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -80.75 107.95 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 28.0 mm -97.08 99.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 516' ' ' TRP . 18.2 ttt180 -117.85 94.02 45.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.2 Cg_exo -45.39 87.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 514' ' ' ARG . 64.4 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.468 ' NE ' ' HG3' ' A' ' 480' ' ' GLU . 8.8 mtt85 -79.51 -32.75 42.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.535 ' HD3' HD21 ' A' ' 476' ' ' LEU . 23.0 ttpt -59.32 137.84 57.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.52 ' CG1' HG23 ' A' ' 513' ' ' ILE . 53.8 t -126.17 138.18 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -98.34 111.3 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 513' ' ' ILE . 49.1 t -108.64 119.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.09 154.74 16.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 79.78 43.16 10.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.98 142.6 41.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.643 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -47.93 144.98 10.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.707 2.272 . . . . 0.0 112.403 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.97 0.69 9.83 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -134.02 36.63 3.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.3 tt -115.65 135.49 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.97 172.89 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 441' ' ' ASP . 19.7 tt0 -52.92 -70.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.7 m-20 -35.81 -54.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.99 -57.4 3.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 455' ' ' VAL . 64.0 mt -49.29 -44.03 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 26.6 m -55.89 -55.14 36.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.62 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 58.1 m -57.81 -32.16 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.559 ' O ' HD22 ' A' ' 453' ' ' LEU . 86.7 m-85 -121.9 35.23 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 451' ' ' GLY . 13.8 tpt180 -98.87 -43.6 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 3.4 ptp180 -39.0 -44.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 486' ' ' LEU . 92.5 m-85 -60.73 -41.34 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.95 -170.6 40.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.14 120.93 5.89 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -139.52 -177.71 5.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.4 p -140.74 134.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.546 HG12 ' CE3' ' A' ' 457' ' ' TRP . 19.2 t -89.53 113.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -128.45 103.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 7.8 p90 -99.43 155.81 36.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.98 155.55 52.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.228 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 64.45 31.99 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 457' ' ' TRP . 30.6 tptt -79.2 -47.69 15.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -44.26 -64.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.34 -47.36 81.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 18.2 t -69.46 81.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 465' ' ' SER . 0.0 OUTLIER -58.38 -29.67 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.403 ' N ' ' HD2' ' A' ' 464' ' ' LYS . 36.8 m -63.36 139.49 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -81.97 42.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.58 116.32 22.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.42 169.18 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.56 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 61.7 Cg_endo -77.05 179.9 6.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.5 mptp? -33.84 -55.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.26 72.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 15.7 p90 -174.75 121.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.97 172.13 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.4 128.42 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 431' ' ' VAL . 33.1 mt -103.62 126.45 50.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.535 HD21 ' HD3' ' A' ' 428' ' ' LYS . 57.7 mt -109.0 84.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -58.94 126.56 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -44.83 -63.24 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -98.95 161.61 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.468 ' HG3' ' NE ' ' A' ' 427' ' ' ARG . 30.2 mt-10 -76.48 -45.77 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 480' ' ' GLU . 2.4 m -35.23 -53.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 24.9 p -44.04 -48.72 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.8 t -42.57 -48.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.1 -53.18 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -53.26 -39.2 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 450' ' ' PHE . 14.4 tp -63.1 -54.74 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.775 HG23 HD11 ' A' ' 497' ' ' LEU . 47.9 mt -51.24 -57.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -46.25 -38.82 9.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.87 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 79.2 m -66.82 113.05 4.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.13 -177.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -145.15 142.28 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -121.35 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -126.65 70.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.41 -29.5 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -99.08 156.98 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.775 HD11 HG23 ' A' ' 487' ' ' ILE . 16.7 mt -95.59 172.88 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.7 m-85 -160.9 119.17 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' ' 447' ' ' PHE . 26.8 tp -109.71 142.9 40.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 60.7 m -95.43 126.0 40.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 501' ' ' VAL . 34.2 m -120.97 120.55 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . 0.423 ' HB3' ' CG ' ' A' ' 508' ' ' ASP . 61.2 p -97.62 125.84 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 18.5 p -122.65 144.23 41.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -19.78 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 29.9 p -103.94 -57.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.1 143.99 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -72.35 171.07 12.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 502' ' ' SER . 6.0 m-20 -43.07 101.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -100.02 132.61 22.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.18 84.92 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.86 142.04 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -80.36 114.43 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 431' ' ' VAL . 43.0 mm -101.01 107.0 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -123.02 93.9 47.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 90.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.885 0.374 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 427' ' ' ARG . 29.3 mtm105 -45.61 -30.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.5 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 18.3 tttp -57.15 137.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.25 130.71 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -86.98 138.09 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.426 HG22 HD13 ' A' ' 513' ' ' ILE . 12.2 t -134.54 122.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -131.81 116.95 1.98 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 129.5 20.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.08 143.7 84.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 438' ' ' ILE . 71.7 Cg_exo -46.09 150.71 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.748 2.299 . . . . 0.0 112.304 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -78.81 -1.49 11.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.34 39.29 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.2 tt -111.44 133.69 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -91.75 -174.99 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 441' ' ' ASP . 41.4 tt0 -62.78 -66.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 444' ' ' THR . 0.3 OUTLIER -37.97 -65.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 441' ' ' ASP . 25.4 mt-10 -35.1 -56.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 73.9 mt -48.08 -43.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.46 HG22 ' HG2' ' A' ' 448' ' ' ARG . 4.0 m -62.36 -56.88 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.2 -39.27 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 13.3 m -62.38 -27.65 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.675 ' O ' HD22 ' A' ' 453' ' ' LEU . 92.4 m-85 -121.52 31.31 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.46 ' HG2' HG22 ' A' ' 444' ' ' THR . 3.7 mmm180 -93.08 -45.24 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -39.16 -46.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -60.76 -42.47 97.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 166.11 -174.73 41.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.46 118.23 4.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.5 pt? -135.03 176.8 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.1 p -134.05 134.17 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.4 t -90.36 141.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.1 114.0 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.2 p90 -100.04 159.64 29.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.79 -65.23 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -87.56 66.18 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 36.0 tttm -108.71 -49.24 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.31 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' SER . 1.1 mp0 -65.19 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' GLU . 89.6 p -34.62 150.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.44 -59.36 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 87.9 p -53.87 163.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.22 36.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -116.76 92.99 39.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.99 167.78 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -45.85 176.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -41.87 -55.77 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.2 70.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 36.0 p90 -174.65 132.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -154.87 179.06 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.5 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 51.5 m-85 -122.36 147.61 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.496 ' HB3' HD12 ' A' ' 453' ' ' LEU . 56.8 mt -122.18 130.64 53.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 41.2 mt -114.18 87.51 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.81 127.8 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -41.8 -61.01 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.38 161.14 13.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.45 -44.39 35.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -39.79 -51.78 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 12.0 p -46.7 -51.8 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.28 -48.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -57.77 -60.09 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.22 -37.15 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.4 -59.32 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 497' ' ' LEU . 87.7 mt -42.22 -53.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.78 -40.06 72.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.67 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.29 117.05 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.21 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.99 140.79 29.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -122.72 -74.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.33 70.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.56 -26.09 4.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 514' ' ' ARG . 41.4 mttt -102.65 157.61 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 487' ' ' ILE . 14.2 mt -99.32 164.01 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -155.48 116.49 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.0 tp -105.97 128.08 53.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 3.9 m -80.75 121.86 26.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.3 m -115.59 122.72 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 41.6 p -91.48 155.09 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 506' ' ' ILE . 14.8 m -147.62 156.09 45.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -45.02 -40.57 15.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 30.7 p -96.68 -54.29 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 503' ' ' SER . 49.1 mm -91.13 145.47 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.13 173.68 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.0 p-10 -34.3 110.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -125.92 109.58 24.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.58 129.4 23.32 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 499' ' ' LEU . 2.5 m -119.33 134.48 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -65.56 101.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.426 HD13 HG22 ' A' ' 431' ' ' VAL . 12.1 mm -97.96 111.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 516' ' ' TRP . 26.0 mmm180 -126.29 93.14 43.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 72.5 Cg_exo -47.12 84.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.486 ' N ' ' O ' ' A' ' 514' ' ' ARG . 70.8 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.413 ' HA ' HG21 ' A' ' 483' ' ' VAL . 51.8 mtm180 -83.73 -12.34 55.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 476' ' ' LEU . 14.3 tptm -78.4 109.71 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 513' ' ' ILE . 74.3 t -113.93 128.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -91.4 137.33 32.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 5.5 t -128.45 131.28 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -128.56 149.71 18.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.62 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.76 143.57 90.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.704 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.34 147.67 5.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.05 0.79 9.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -132.71 34.7 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.2 tt -112.28 128.86 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.68 173.14 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.0 tt0 -46.16 -69.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.2 t0 -34.22 -64.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 438' ' ' ILE . 5.5 mm-40 -35.67 -59.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.06 -47.4 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 448' ' ' ARG . 6.7 m -55.15 -59.57 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.22 -26.51 60.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 62.5 m -73.1 -27.3 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.0 13.46 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 444' ' ' THR . 15.5 tpt180 -80.3 -31.58 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -55.1 -14.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.5 m-85 -93.93 -24.61 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 142.97 159.56 8.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.76 118.22 2.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.89 -178.07 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 476' ' ' LEU . 6.3 p -141.75 142.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.7 t -99.71 141.37 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.7 112.6 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 2.3 p90 -100.18 159.02 30.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.54 -65.31 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' A' ' 459' ' ' HIS . 23.2 p80 -97.76 83.69 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 457' ' ' TRP . 6.9 ptmt -118.9 -38.78 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -84.82 -47.86 9.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.34 -47.81 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.6 m -54.29 162.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 23.65 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 16.7 m -142.39 157.76 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 467' ' ' PHE . 2.3 p90 -81.22 -52.48 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 466' ' ' TYR . 19.7 m-85 -33.29 96.38 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.66 0.743 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 466' ' ' TYR . 71.3 Cg_exo -45.42 171.0 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.481 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 72.0 Cg_exo -45.82 177.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -48.28 -49.0 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -177.59 57.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.8 p90 -164.85 124.56 1.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.38 170.18 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.496 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 27.8 m-85 -118.05 146.37 44.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 38.5 mt -117.5 143.85 45.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.609 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.2 mt -128.87 87.87 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 482' ' ' SER . 88.0 m-85 -63.96 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -63.26 -51.16 67.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 480' ' ' GLU . 17.9 mt-10 -103.58 114.37 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 479' ' ' GLU . 19.3 mt-10 -36.95 -40.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 4.7 t -44.35 -53.57 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.54 ' HB3' ' CD1' ' A' ' 477' ' ' PHE . 3.9 m -38.05 -51.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 427' ' ' ARG . 98.7 t -41.26 -55.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -50.76 -59.99 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.73 -37.99 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 450' ' ' PHE . 13.0 tp -65.32 -62.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 497' ' ' LEU . 90.9 mt -39.92 -51.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.88 -47.87 67.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.48 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 39.8 m -50.04 116.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 498' ' ' TYR . 18.3 mt -54.16 172.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.09 124.13 44.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -133.55 86.7 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.52 43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.49 -38.8 3.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -68.91 163.64 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 487' ' ' ILE . 82.1 mt -116.5 145.13 43.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 491' ' ' LEU . 96.9 m-85 -148.45 128.72 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.6 tp -111.62 135.58 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 4.6 p -81.58 118.52 22.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.01 105.42 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 42.5 p -96.61 129.38 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 67.0 m -109.21 155.66 40.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.73 -21.49 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 6.7 p -109.1 -54.88 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.69 141.1 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -77.09 165.23 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.479 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 1.8 m-20 -33.73 111.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -124.68 106.24 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 53.7 Cg_exo -54.08 134.3 59.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.31 137.48 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.41 114.25 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.503 HG23 ' CG1' ' A' ' 429' ' ' VAL . 46.1 mm -105.65 97.03 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -109.25 95.22 17.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.93 90.75 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 429' ' ' VAL . 12.8 mtt85 -73.99 -40.19 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.626 ' HA ' HD23 ' A' ' 476' ' ' LEU . 19.6 tttp -49.49 144.45 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.421 ' CG1' HG23 ' A' ' 513' ' ' ILE . 64.7 t -138.73 131.59 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -89.47 129.46 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 13.1 t -125.97 121.2 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -125.42 119.71 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 511' ' ' VAL . . . 125.17 27.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.453 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.63 142.37 66.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.3 Cg_exo -47.44 151.14 3.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.18 -1.13 11.32 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -134.99 40.02 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.1 tt -111.83 137.53 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -102.09 171.14 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 441' ' ' ASP . 67.1 tt0 -47.85 -69.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 440' ' ' GLU . 14.0 t0 -35.44 -59.84 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.71 -58.58 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.1 mt -48.42 -39.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.5 m -60.8 -55.34 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.37 -42.87 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.9 m -57.12 -32.56 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.668 ' O ' HD22 ' A' ' 453' ' ' LEU . 91.9 m-85 -119.99 31.36 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -96.56 -40.02 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 449' ' ' ARG . 4.3 ptm85 -45.26 -34.32 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.2 m-85 -70.98 -42.32 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 167.31 -171.49 42.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.51 110.18 3.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -128.04 -177.42 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -142.91 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.467 HG12 ' CE3' ' A' ' 457' ' ' TRP . 17.2 t -92.54 132.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -146.68 112.86 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 1.4 p90 -100.63 158.88 31.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.13 -66.1 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.25 90.45 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -119.06 -41.58 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -82.78 -42.51 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.08 -48.43 76.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 66.3 m -63.94 137.98 58.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -93.25 42.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 5.4 m -155.42 148.53 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -90.07 36.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -115.34 94.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.709 0.766 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.34 166.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.1 Cg_exo -45.08 170.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -47.68 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -178.45 64.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 26.7 p90 -174.22 133.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.38 178.08 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.468 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 87.7 m-85 -121.95 127.09 49.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 476' ' ' LEU . 83.5 mt -99.25 144.27 28.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 428' ' ' LYS . 46.1 mt -130.45 96.14 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.526 ' CE1' HD22 ' A' ' 486' ' ' LEU . 90.9 m-85 -73.84 131.36 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.88 -56.03 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.1 mt-10 -90.34 113.67 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 481' ' ' SER . 35.2 mt-10 -37.71 -47.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 482' ' ' SER . 14.9 m -36.18 -58.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 481' ' ' SER . 19.7 m -34.53 -50.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 427' ' ' ARG . 90.0 t -43.24 -58.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -54.37 -60.77 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.38 -39.02 9.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.7 tp -64.79 -57.21 9.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.539 HG23 HD11 ' A' ' 497' ' ' LEU . 54.0 mt -48.35 -59.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.56 -43.36 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.48 80.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.42 115.93 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.7 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -143.88 138.89 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -117.52 -73.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -126.85 69.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.36 -27.4 3.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.44 155.46 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.539 HD11 HG23 ' A' ' 487' ' ' ILE . 32.7 mt -92.5 169.13 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.95 116.19 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 511' ' ' VAL . 18.8 tp -111.32 137.24 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 29.9 p -84.62 132.47 34.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -130.74 114.52 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 81.5 p -87.21 130.15 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 t -120.95 147.34 46.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.48 -22.93 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -112.03 -53.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.27 143.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.27 172.7 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.05 108.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -106.05 129.65 24.23 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -77.94 84.41 2.0 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 499' ' ' LEU . 24.8 m -78.51 140.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.75 111.92 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.421 HG23 ' CG1' ' A' ' 429' ' ' VAL . 19.0 mm -100.56 114.8 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -120.23 90.48 44.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.7 108.35 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 429' ' ' VAL . 87.7 mtm-85 -77.87 -52.67 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.688 ' CG ' HD21 ' A' ' 476' ' ' LEU . 67.4 mttt -45.32 142.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 427' ' ' ARG . 48.5 t -137.25 117.48 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -80.48 109.38 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.07 126.28 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.42 130.86 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 118.65 12.54 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.56 143.94 98.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.2 Cg_exo -47.25 147.05 6.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.81 0.97 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.757 2.305 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -131.86 33.11 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 435' ' ' PRO . 19.0 tt -110.17 151.24 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.93 178.98 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.3 tt0 -52.94 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 440' ' ' GLU . 20.4 t70 -34.13 -65.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 441' ' ' ASP . 13.3 mt-10 -35.17 -54.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.23 -60.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 448' ' ' ARG . 83.8 m -45.51 -45.87 13.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.14 -39.39 82.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.1 m -65.16 -24.59 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -122.06 19.83 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 444' ' ' THR . 7.0 tpt180 -86.89 -31.59 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.566 ' HD2' ' CD1' ' A' ' 450' ' ' PHE . 0.1 OUTLIER -48.56 -33.9 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 449' ' ' ARG . 84.8 m-85 -73.86 -31.66 63.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 153.35 -168.65 32.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.37 125.25 8.96 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.84 174.39 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 476' ' ' LEU . 12.8 p -137.06 129.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.767 HG13 HD23 ' A' ' 475' ' ' LEU . 3.1 t -91.31 149.14 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -155.58 112.26 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 3.5 p90 -99.22 158.34 32.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.539 0.685 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.8 -53.6 4.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.79 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.581 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 11.1 tmtt? -125.2 -54.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.38 94.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.11 -47.51 15.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 5.5 m -82.06 122.33 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 464' ' ' LYS . 2.2 mppt? -76.18 -41.37 49.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 464' ' ' LYS . 6.6 t -36.88 133.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -89.24 44.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.19 95.77 18.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.31 161.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.517 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 76.7 Cg_exo -49.3 178.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -39.34 -66.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.48 66.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -171.43 130.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -152.34 172.99 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -118.1 119.59 35.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.767 HD23 HG13 ' A' ' 455' ' ' VAL . 21.2 mt -93.83 142.51 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 428' ' ' LYS . 23.6 mt -126.45 97.97 5.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.98 126.41 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -49.23 -61.07 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.33 123.19 38.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -44.88 -46.71 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.0 p -39.01 -45.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.1 t -45.83 -51.88 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.96 -50.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -54.08 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -42.95 -45.56 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.559 HD11 HD22 ' A' ' 499' ' ' LEU . 33.1 tp -58.14 -59.2 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.426 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.6 mt -46.72 -52.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -51.93 -44.91 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.22 73.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 499' ' ' LEU . 38.3 m -57.22 136.03 56.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.36 163.51 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.76 119.67 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -131.53 87.28 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.9 t70 69.45 43.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 88.52 -38.8 3.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -73.49 139.18 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 487' ' ' ILE . 55.2 mt -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -146.02 128.99 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.81 150.16 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.2 p -97.82 131.53 44.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.6 m -139.45 106.48 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.1 t -87.93 146.72 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.2 m -127.59 159.23 67.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.27 -21.5 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.7 p -114.16 -63.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 507' ' ' LYS . 17.8 mm -78.21 150.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 506' ' ' ILE . 34.6 mmtt -86.12 172.1 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.2 p-10 -38.19 104.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 126.84 33.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 63.1 Cg_endo -78.17 74.99 5.08 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.0 m -61.54 152.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -88.45 103.44 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.5 mm -89.11 111.45 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -122.69 92.99 48.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.06 141.53 9.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 35.3 t-105 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -91.73 -46.16 8.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 516' ' ' TRP . 3.1 ttmp? -65.18 131.81 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 513' ' ' ILE . 84.9 t -121.75 132.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.99 105.28 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.766 HG22 HD12 ' A' ' 513' ' ' ILE . 46.7 t -105.2 121.22 56.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.71 150.15 18.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.4 ' O ' HG12 ' A' ' 511' ' ' VAL . . . 87.5 37.07 8.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.7 142.05 45.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.675 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.8 141.68 15.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.99 3.8 7.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -132.96 30.81 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.0 tt -110.53 138.61 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 440' ' ' GLU . 6.8 t70 -100.83 169.48 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 439' ' ' ASP . 38.0 tt0 -48.13 -70.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 440' ' ' GLU . 40.2 t0 -34.25 -52.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' CB ' HG13 ' A' ' 438' ' ' ILE . 22.1 mm-40 -49.14 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 63.6 mt -42.25 -48.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 448' ' ' ARG . 2.5 m -54.1 -57.64 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.45 -38.3 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.4 m -61.24 -28.42 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -121.56 28.82 7.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.407 ' HG2' HG22 ' A' ' 444' ' ' THR . 1.3 mmm180 -91.02 -30.07 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -63.37 -10.32 16.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 486' ' ' LEU . 69.4 m-85 -96.28 -30.31 13.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 151.61 -171.85 31.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 124.53 8.18 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -146.96 179.52 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.2 p -141.54 138.45 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.43 HG12 ' CE3' ' A' ' 457' ' ' TRP . 12.1 t -91.81 139.52 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -155.21 108.05 2.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.9 p90 -100.15 156.93 34.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.8 -0.29 6.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -123.47 36.35 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -86.91 -64.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.29 -56.5 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -49.24 -57.24 7.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 42.4 t -84.0 98.52 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -41.07 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 67.6 m -55.23 160.34 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -89.35 30.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -103.08 142.16 23.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.15 169.28 19.32 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 472' ' ' TYR . 58.3 Cg_endo -71.51 -179.17 3.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 36.5 mtmt -33.73 -60.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -176.13 72.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 469' ' ' PRO . 5.8 p90 -174.97 130.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -148.65 163.39 37.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -114.65 123.89 50.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 31.2 mt -103.89 115.34 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 428' ' ' LYS . 86.7 mt -96.53 95.32 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -73.98 115.72 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -50.19 -49.08 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 115.44 28.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.28 -42.03 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 482' ' ' SER . 8.3 t -55.34 -52.58 63.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 481' ' ' SER . 3.7 t -36.26 -42.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.82 -61.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -40.98 -49.14 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.92 -47.13 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 450' ' ' PHE . 12.7 tp -52.29 -58.37 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 497' ' ' LEU . 82.9 mt -44.97 -45.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.94 -50.48 61.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.39 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 71.5 m -48.28 120.56 3.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.64 161.81 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.97 121.66 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -134.33 97.05 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.64 40.4 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.46 -38.55 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -67.83 168.12 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.536 ' CD1' HG23 ' A' ' 487' ' ' ILE . 97.9 mt -120.85 154.06 36.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.433 ' CE2' ' HG3' ' A' ' 512' ' ' GLN . 96.5 m-85 -154.31 136.55 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.0 tp -119.95 138.4 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.11 129.93 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.9 m -136.83 112.0 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.56 137.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 23.6 p -116.51 155.34 48.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 -20.29 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -111.12 -58.06 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 507' ' ' LYS . 40.1 mm -82.79 154.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 9.5 mmtm -90.56 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 13.2 m-20 -34.21 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -109.4 113.89 57.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.1 93.5 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 433' ' ' GLY . 16.8 m -79.69 161.94 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . 0.433 ' HG3' ' CE2' ' A' ' 498' ' ' TYR . 47.1 tt0 -97.94 99.23 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.766 HD12 HG22 ' A' ' 431' ' ' VAL . 29.1 mm -81.95 123.4 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -130.18 90.37 42.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.19 92.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 48.9 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.657 ' HA ' HG21 ' A' ' 483' ' ' VAL . 49.5 mtm180 -82.44 -62.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.505 ' HE3' ' CD1' ' A' ' 516' ' ' TRP . 13.3 ttpt -41.95 124.86 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.735 ' CG1' HG23 ' A' ' 513' ' ' ILE . 66.5 t -116.4 141.14 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -101.42 106.83 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 513' ' ' ILE . 18.3 t -106.4 117.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.91 128.88 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.79 35.0 1.93 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.6 mt -82.53 142.22 46.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.3 Cg_exo -46.59 148.47 3.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.56 -0.41 10.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -132.75 36.6 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.5 tt -110.82 139.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -104.39 -178.14 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 441' ' ' ASP . 13.7 tt0 -55.56 -68.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.3 m-20 -36.38 -64.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 441' ' ' ASP . 15.8 mt-10 -35.91 -62.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . 0.408 ' CG2' HD21 ' A' ' 475' ' ' LEU . 64.2 mt -45.38 -46.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 448' ' ' ARG . 7.1 m -53.58 -60.51 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.82 -39.78 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -32.26 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . 0.58 ' O ' HD22 ' A' ' 453' ' ' LEU . 87.6 m-85 -122.31 27.03 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 444' ' ' THR . 12.0 tpt180 -91.44 -44.85 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -39.9 -49.57 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.3 m-85 -53.89 -40.34 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 158.6 156.32 7.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.79 122.78 4.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -140.57 -175.69 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -140.28 132.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.6 t -88.22 129.26 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -146.04 108.18 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 460' ' ' LYS . 4.2 p90 -100.14 156.62 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.509 0.671 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.94 -23.41 22.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . 0.458 ' CE1' ' OH ' ' A' ' 472' ' ' TYR . 12.0 m170 -98.1 50.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 457' ' ' TRP . 27.4 tptt -104.58 -54.26 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -54.36 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -43.34 -60.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.8 t -67.8 116.44 8.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 68.41 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.8 t -167.69 160.31 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -87.66 40.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -122.19 141.57 34.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.482 ' CG ' ' O ' ' A' ' 438' ' ' ILE . 62.6 Cg_endo -79.65 169.36 18.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 58.6 Cg_endo -71.92 179.66 4.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.748 2.299 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 13.0 mptt -33.87 -65.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -169.06 72.18 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 37.4 p90 -174.58 121.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -145.23 169.52 18.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.78 121.16 41.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 431' ' ' VAL . 23.5 mt -99.71 121.89 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 31.2 mt -103.12 90.39 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 486' ' ' LEU . 69.9 m-85 -67.62 98.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 477' ' ' PHE . 16.2 tt0 -35.19 -56.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.17 108.29 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.12 -43.86 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 11.4 t -38.94 -53.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.3 m -44.06 -53.34 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 427' ' ' ARG . 72.3 t -38.27 -59.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -48.18 -63.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.54 -49.2 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 25.2 tp -53.8 -57.79 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 69.8 mt -48.32 -55.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -46.1 -44.66 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.35 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 499' ' ' LEU . 65.8 m -62.19 104.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.3 162.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -126.9 140.07 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -117.13 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.97 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 85.14 -26.26 5.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -101.62 155.25 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 14.2 mt -101.25 174.95 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 89.8 m-85 -160.17 125.31 3.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.51 147.58 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 509' ' ' LYS . 26.3 p -96.49 131.8 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 501' ' ' VAL . 20.9 m -138.86 121.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.6 t -101.72 139.66 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.3 p -129.44 164.17 41.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -23.37 6.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.1 p -113.09 -69.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.554 HG21 ' HG3' ' A' ' 509' ' ' LYS . 37.8 mm -74.9 146.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.3 mmtm -88.62 169.02 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.9 m-20 -34.4 108.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . 0.554 ' HG3' HG21 ' A' ' 506' ' ' ILE . 9.2 mmmt -106.87 132.32 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 60.7 Cg_endo -78.9 61.88 8.25 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.89 141.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.59 119.05 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.735 HG23 ' CG1' ' A' ' 429' ' ' VAL . 26.3 mm -105.0 107.58 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 516' ' ' TRP . 37.6 ttp180 -120.33 94.45 48.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.76 90.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.505 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 58.0 t-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' ARG . . . . . 0.575 ' HA ' HG21 ' A' ' 483' ' ' VAL . 36.5 mtp180 -45.34 -38.62 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 476' ' ' LEU . 2.3 tppp? -56.92 131.24 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.5 t -132.99 138.48 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -102.66 125.86 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' VAL . . . . . 0.545 HG22 ' CD1' ' A' ' 513' ' ' ILE . 48.2 t -121.53 123.68 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -120.52 155.32 16.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 82.37 42.08 8.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.4 mt -85.8 142.64 36.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.5 Cg_exo -47.08 147.21 5.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.08 -0.57 10.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.83 39.32 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 435' ' ' PRO . 13.5 tt -116.06 128.78 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 442' ' ' GLU . 1.8 p-10 -93.15 177.75 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 441' ' ' ASP . 48.0 tt0 -54.31 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.3 t0 -34.01 -52.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.479 ' CB ' HG13 ' A' ' 438' ' ' ILE . 6.8 mm-40 -47.28 -58.3 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.4 mt -47.63 -51.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 10.8 m -47.55 -60.3 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -47.82 -42.6 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 5.1 t -55.82 -37.4 68.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -120.0 33.56 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -93.4 -45.48 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 6.7 ptp180 -38.53 -45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 79.9 m-85 -58.01 -42.83 86.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.78 -166.38 36.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.81 126.97 9.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -147.72 -179.81 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.4 p -137.52 140.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.465 HG12 ' CE3' ' A' ' 457' ' ' TRP . 21.8 t -97.86 133.05 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -151.54 112.13 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.478 ' CE2' ' HD2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.16 144.59 28.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.92 131.8 13.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 62.33 41.54 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 26.7 tttp -74.7 -52.91 10.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -48.25 -59.93 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 463' ' ' SER . 6.0 mm-40 -53.09 -53.5 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 462' ' ' GLU . 2.3 m -36.03 118.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -88.04 42.24 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 20.9 m -164.25 164.09 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -101.25 42.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -131.68 95.61 22.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' PRO . . . . . 0.406 ' HA ' ' CD1' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -44.48 170.13 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' PRO . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.3 Cg_exo -46.69 178.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.52 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.16 67.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 41.1 p90 -171.24 130.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 110.938 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -149.17 170.94 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.98 128.59 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 20.3 mt -103.29 146.65 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' LEU . . . . . 0.444 ' CD2' ' HD3' ' A' ' 428' ' ' LYS . 34.1 mt -128.07 100.49 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -80.46 131.17 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -69.0 -55.77 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 480' ' ' GLU . 24.8 mt-10 -79.12 99.91 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 479' ' ' GLU . 35.8 mt-10 -35.31 -43.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 482' ' ' SER . 24.5 t -48.27 -57.7 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 481' ' ' SER . 8.5 t -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' A' ' 427' ' ' ARG . 84.0 t -44.83 -56.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -53.32 -53.48 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.41 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 18.5 tp -52.0 -54.76 25.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 67.1 mt -47.43 -51.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.46 -45.87 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.06 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 42.2 m -58.18 163.37 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 32.7 mt -115.88 139.21 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.86 130.32 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -110.06 -71.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -122.6 50.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.69 18.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.09 153.18 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 19.2 mt -94.17 171.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' TYR . . . . . 0.481 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 44.5 m-85 -159.66 126.42 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 511' ' ' VAL . 23.5 tp -121.51 130.41 53.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 88.8 m -77.72 136.86 38.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 501' ' ' VAL . 33.5 m -137.3 111.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 68.5 m -87.49 125.99 34.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.8 m -119.93 155.01 55.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -21.0 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 46.9 p -120.9 -55.6 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 509' ' ' LYS . 37.9 mm -88.39 102.59 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.5 mmtp -52.12 173.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 507' ' ' LYS . 20.7 p-10 -34.56 107.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' LYS . . . . . 0.481 ' HD2' ' CG2' ' A' ' 506' ' ' ILE . 0.2 OUTLIER -115.61 126.04 28.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.97 93.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 499' ' ' LEU . 15.8 m -83.86 141.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -74.8 111.65 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 431' ' ' VAL . 31.0 mm -99.77 104.32 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -117.71 94.01 44.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.63 90.44 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 77.6 p -172.54 140.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 93.0 p -117.16 112.44 20.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -137.51 -47.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 424' ' ' SER . 33.0 t -102.35 -45.54 5.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 423' ' ' SER . 27.3 t -36.6 -47.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 149.24 74.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 18.5 p -86.81 121.32 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 428' ' ' LYS . 43.9 mtt180 -70.41 -34.33 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.529 ' HE2' ' CG ' ' A' ' 516' ' ' TRP . 6.1 ttpm? -37.52 148.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 513' ' ' ILE . 30.2 t -139.31 128.15 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -86.98 126.97 35.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 475' ' ' LEU . 3.3 t -121.68 129.53 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.74 116.61 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 132.09 4.38 3.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.45 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 56.8 mt -50.32 143.19 13.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.635 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.1 Cg_exo -47.33 150.3 3.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.95 -2.75 12.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -133.73 39.7 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.3 tt -112.4 159.9 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.404 ' N ' ' CG1' ' A' ' 438' ' ' ILE . 2.7 p30 -122.33 -176.98 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 441' ' ' ASP . 59.0 tt0 -58.39 -73.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.0 t0 -35.74 -60.38 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.31 -53.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.19 -41.54 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 31.9 m -59.02 -59.74 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.31 -40.92 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 19.4 m -59.37 -27.49 66.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.495 ' HB2' HD11 ' A' ' 453' ' ' LEU . 79.1 m-85 -121.25 17.74 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -79.04 -45.23 20.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -39.96 -50.65 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 65.1 m-85 -54.84 -39.11 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 153.79 161.92 10.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.58 124.48 6.76 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.721 2.281 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -145.84 177.06 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -138.77 138.44 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 7.8 t -97.18 134.62 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -157.57 113.12 2.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CZ2' ' HG2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.55 157.27 34.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.526 0.679 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -24.13 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -119.11 55.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 6.2 tmtt? -110.33 -45.52 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -86.04 -62.29 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -43.92 -50.07 8.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 71.2 m -97.55 -175.37 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 465' ' ' SER . 32.0 mtmm -114.95 -50.58 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 464' ' ' LYS . 5.0 m -36.43 130.99 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -98.69 41.79 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -123.82 90.72 50.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.54 103.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.585 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -43.5 146.37 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm 41.08 26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 50.47 88.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 3.9 p90 -175.23 141.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 457' ' ' TRP . . . -163.02 175.36 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.16 136.59 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 431' ' ' VAL . 7.8 mt -109.61 128.62 55.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 15.6 mt -115.29 90.88 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.425 ' CZ ' HD13 ' A' ' 453' ' ' LEU . 64.8 m-85 -68.28 132.73 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -48.41 -48.77 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -107.46 152.7 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -73.63 -41.72 62.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.6 m -40.75 -59.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.2 p -38.88 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.6 t -44.55 -55.83 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -49.83 -53.57 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.95 -41.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.3 tp -57.02 -57.26 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.475 HG23 HD11 ' A' ' 497' ' ' LEU . 57.3 mt -45.53 -52.45 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -48.35 -49.43 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.09 84.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.14 122.62 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.75 161.48 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -115.38 117.79 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -129.26 88.21 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.46 45.66 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 89.12 -41.06 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -68.74 145.31 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 487' ' ' ILE . 60.7 mt -106.38 149.22 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -147.75 132.79 18.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 21.9 tp -116.49 158.89 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 78.7 m -103.25 131.26 50.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 501' ' ' VAL . 6.5 m -131.5 107.46 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 87.3 p -79.3 141.76 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 24.7 m -129.98 150.7 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.62 -26.5 3.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.1 p -109.89 -64.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.6 mm -78.19 145.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.4 mmtp -80.33 168.21 19.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.7 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -95.63 133.64 25.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.3 Cg_endo -79.88 80.17 3.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.7 m -69.69 151.62 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -87.6 103.21 15.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.471 HG23 ' CG1' ' A' ' 429' ' ' VAL . 23.0 mm -96.64 107.75 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -123.35 93.49 47.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.7 Cg_exo -46.44 101.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.529 ' CG ' ' HE2' ' A' ' 428' ' ' LYS . 72.4 t-105 -34.87 122.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -155.2 155.57 34.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.88 110.99 4.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 80.4 p -51.9 111.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -157.0 157.53 34.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 73.0 m -115.83 94.0 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 522' ' ' ASP . 0.0 OUTLIER -156.05 132.63 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -104.52 145.14 30.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 7.9 p -158.14 129.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 14.1 ptm -107.08 119.78 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -171.42 166.74 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 78.8 p -129.47 153.61 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -88.5 163.07 32.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.99 100.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 3.7 m -45.95 -59.36 2.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 36.5 m -119.85 172.96 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.801 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 18.3 m -74.76 129.66 38.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 t -56.07 -62.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -149.54 172.79 29.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 39.0 m -106.78 141.26 38.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.806 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 51.8 p -142.73 157.31 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 169.28 175.13 38.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.6 m -89.38 171.87 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -98.57 0.59 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.533 ' HE2' ' CD2' ' A' ' 474' ' ' PHE . 17.4 tttt -96.31 126.93 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.9 t -128.81 126.48 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -84.88 134.46 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 475' ' ' LEU . 22.6 t -126.87 124.27 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -121.59 161.67 15.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 80.73 25.29 56.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 77.4 mt -72.97 146.74 87.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.598 ' O ' HG22 ' A' ' 438' ' ' ILE . 61.0 Cg_endo -75.02 146.94 33.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -79.37 11.66 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . 0.45 ' CB ' ' OG1' ' A' ' 505' ' ' THR . 3.9 m-20 -125.35 33.71 5.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.4 tt -127.4 147.37 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -114.4 -177.16 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 25.7 tt0 -52.73 -71.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 21.9 t70 -35.5 -66.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.463 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.3 mt-10 -35.26 -67.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 79.8 mt -42.49 -45.78 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.519 HG22 ' HG2' ' A' ' 448' ' ' ARG . 16.3 m -58.3 -57.22 13.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.9 -29.32 27.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 47.9 t -69.59 -25.04 63.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.463 ' O ' HD22 ' A' ' 453' ' ' LEU . 36.6 m-85 -126.38 29.55 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.519 ' HG2' HG22 ' A' ' 444' ' ' THR . 9.1 mmm180 -89.86 -43.74 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -43.1 -30.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.676 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.3 m-85 -75.08 -44.43 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 160.82 159.88 10.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.22 124.99 6.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.59 -177.09 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 476' ' ' LEU . 8.1 p -146.28 138.38 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.3 143.1 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -159.62 109.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 14.2 p90 -99.98 148.05 34.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.68 140.81 16.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.618 2.212 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 58.6 50.13 9.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -96.63 -24.49 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.45 67.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -102.37 29.81 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 40.0 t -114.02 155.75 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -117.76 -52.07 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 77.6 p -58.14 153.71 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -92.29 40.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.28 142.67 46.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.76 166.56 23.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.578 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 74.8 Cg_exo -48.39 178.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.0 OUTLIER -37.03 -63.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.12 71.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 28.6 p90 -174.83 137.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -156.0 160.98 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 42.1 m-85 -112.99 127.96 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 431' ' ' VAL . 35.8 mt -101.94 138.84 38.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.498 ' HB2' HG13 ' A' ' 454' ' ' VAL . 38.7 mt -120.28 82.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' HD22 ' A' ' 486' ' ' LEU . 52.5 m-85 -58.14 120.17 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -45.6 -52.52 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -101.44 137.22 40.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -60.6 -45.4 94.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' SER . 46.2 m -47.03 -53.37 12.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' SER . 12.8 t -37.49 -43.58 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.32 -56.05 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -44.96 -42.35 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.18 92.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' A' ' 450' ' ' PHE . 27.0 tp -55.77 -53.63 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 60.3 mt -49.13 -36.32 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.99 -37.26 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 57.8 m -71.06 116.25 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 48.2 mt -55.01 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -154.27 141.85 19.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.19 -72.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -126.57 69.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 80.66 -19.18 7.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -103.13 148.26 25.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 54.7 mt -97.27 166.48 11.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 91.3 m-85 -159.1 141.97 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 24.1 tp -126.22 147.94 49.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.82 136.34 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 501' ' ' VAL . 26.7 m -138.44 124.71 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.0 p -94.46 146.82 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.6 t -131.8 146.33 61.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.49 -22.22 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 437' ' ' ASP . 43.1 p -116.89 -51.63 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 507' ' ' LYS . 11.1 mm -83.34 159.32 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 506' ' ' ILE . 16.5 mmtm -97.14 165.89 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 507' ' ' LYS . 21.5 p-10 -35.61 99.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.23 133.91 20.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.24 99.21 1.26 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.45 142.07 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -84.71 109.79 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.3 119.48 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -124.62 91.44 49.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.31 131.07 22.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.486 ' CB ' ' O ' ' A' ' 428' ' ' LYS . 22.0 t-105 -74.8 174.36 9.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 518' ' ' LEU . 5.0 t-20 -163.69 122.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 518' ' ' LEU . 3.3 pp -35.99 142.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 71.3 m -106.65 84.45 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -137.78 152.94 49.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 20.4 m -106.64 114.37 28.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.32 21.38 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -77.57 150.77 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 525' ' ' MET . 6.5 p -160.97 136.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 524' ' ' VAL . 8.1 ttm -36.05 121.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -48.19 130.74 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.5 t -134.23 162.4 32.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 108.89 -158.26 14.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.06 105.36 2.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 0.0 112.292 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.4 t -62.12 162.18 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.8 t -51.34 151.95 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.7 t -95.15 -50.13 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 13.5 t -92.58 -58.35 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -157.76 -163.44 12.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 58.9 m -147.51 157.92 43.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 89.0 p -132.37 127.4 35.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 118.0 161.86 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 74.3 m -71.38 176.48 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.508 ' HA ' HG21 ' A' ' 483' ' ' VAL . 71.3 mtm180 -84.5 -56.4 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HA ' HD23 ' A' ' 476' ' ' LEU . 26.6 tttt -35.67 149.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 427' ' ' ARG . 46.9 t -146.34 120.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -81.01 120.05 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.552 HG22 HD12 ' A' ' 513' ' ' ILE . 17.6 t -121.04 117.93 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -122.21 131.23 8.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.18 37.28 1.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.18 140.68 36.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.642 0.734 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.472 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.76 147.06 7.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.01 2.49 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.33 31.71 4.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.7 tt -109.0 140.43 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -103.76 -176.8 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.79 -61.49 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 442' ' ' GLU . 11.2 t70 -42.19 -66.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 441' ' ' ASP . 48.4 mm-40 -35.13 -60.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 62.4 mt -48.45 -45.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 18.0 m -62.73 -54.71 35.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.68 -25.87 60.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 14.5 m -72.28 -23.11 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.45 ' HB2' HD11 ' A' ' 453' ' ' LEU . 51.9 m-85 -122.53 13.92 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.37 -42.37 59.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -43.79 -32.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 85.5 m-85 -74.63 -45.69 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 158.47 166.32 17.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.79 125.58 8.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 447' ' ' PHE . 2.4 pt? -146.86 -176.41 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.1 p -149.28 140.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 10.0 t -96.38 142.55 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -156.21 108.99 2.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.577 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 9.8 p90 -98.73 150.33 36.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.29 131.51 11.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 3.6 m-70 61.37 47.93 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -75.67 -60.78 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -45.7 -59.77 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -47.85 -46.09 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 11.7 m -77.44 155.29 31.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 465' ' ' SER . 63.3 mttt -115.08 -58.81 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 464' ' ' LYS . 21.9 m -36.17 152.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -95.45 38.38 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -123.35 91.98 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.577 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 71.3 Cg_exo -45.81 165.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.5 Cg_exo -46.95 179.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 469' ' ' PRO . 19.2 mmmt -33.64 -59.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.86 60.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 16.8 p90 -159.66 130.32 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.73 168.42 20.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.532 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 58.6 m-85 -118.23 123.53 45.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 84.0 mt -99.42 134.41 42.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 428' ' ' LYS . 19.7 mt -119.88 92.5 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 486' ' ' LEU . 90.7 m-85 -66.58 115.37 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.72 -48.03 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.2 mm-40 -97.29 103.36 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 479' ' ' GLU . 50.2 mt-10 -37.14 -42.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.6 m -44.77 -47.88 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 64.1 m -45.04 -55.14 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 427' ' ' ARG . 94.1 t -38.83 -52.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -49.65 -59.3 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.13 50.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.458 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 36.3 tp -53.07 -56.19 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.5 mt -47.65 -47.77 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.98 -45.14 71.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.33 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.7 121.57 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.64 157.28 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -107.07 127.79 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.61 86.73 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 13.6 t0 64.64 41.9 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 95.72 -36.79 3.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -72.99 155.21 40.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 487' ' ' ILE . 40.6 mt -114.42 144.44 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -141.17 139.55 33.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 486' ' ' LEU . 26.2 tp -121.81 149.93 42.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.1 m -101.82 133.17 47.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 501' ' ' VAL . 29.7 m -139.05 118.4 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 2.0 t -99.91 133.65 43.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 157.32 40.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.3 -19.53 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 61.2 p -118.76 -47.38 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.8 mm -88.53 146.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 508' ' ' ASP . 14.6 mmtm -87.55 170.65 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 507' ' ' LYS . 1.1 m-20 -36.71 105.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -108.0 130.36 22.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.2 84.71 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.399 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.92 139.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -73.69 106.34 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.552 HD12 HG22 ' A' ' 431' ' ' VAL . 15.3 mm -100.37 97.45 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.2 ttt180 -117.42 93.65 43.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.87 89.76 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 514' ' ' ARG . 37.0 t-105 -54.86 126.97 26.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -115.01 163.29 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 45.9 tp -109.52 121.12 44.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 7.3 t -60.85 128.39 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -130.58 139.83 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 2.2 m -97.4 88.14 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.48 140.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -144.12 160.03 41.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 524' ' ' VAL . 10.7 p -152.45 117.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -65.17 107.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -104.14 148.07 26.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.5 m -49.3 -50.48 39.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 57.96 87.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.95 146.75 26.24 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.715 2.276 . . . . 0.0 112.387 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 71.8 p -127.75 158.21 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 3.4 m -80.16 115.2 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 54.8 p 46.88 43.75 13.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.818 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.7 t -138.34 125.54 21.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -128.94 -56.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 t -129.15 106.85 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 5.0 m -117.94 85.77 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 83.96 -141.49 20.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.1 t -132.79 160.9 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.423 ' HA ' ' CG2' ' A' ' 483' ' ' VAL . 72.3 mtm180 -76.56 -40.28 50.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -62.98 106.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.453 HG11 HD21 ' A' ' 486' ' ' LEU . 62.1 t -105.09 127.42 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -89.41 118.93 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.01 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.75 19.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.31 20.79 24.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 41.4 mt -76.18 142.34 71.83 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.511 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.7 Cg_exo -47.63 147.27 6.92 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.02 3.44 7.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -130.69 21.87 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -96.16 131.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.53 179.13 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 27.3 tt0 -51.99 -67.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 17.9 t70 -34.39 -62.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.434 ' CB ' HG13 ' A' ' 438' ' ' ILE . 16.2 mt-10 -41.23 -65.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.535 HD13 HG11 ' A' ' 455' ' ' VAL . 69.0 mt -43.28 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.2 m -48.93 -56.46 8.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.5 -34.51 49.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . 0.521 ' OG ' HG12 ' A' ' 501' ' ' VAL . 1.5 t -68.61 -20.95 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -121.22 8.7 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -75.75 -5.38 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.24 6.86 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 486' ' ' LEU . 65.5 m-85 -119.67 -29.57 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 143.65 165.08 10.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.58 122.76 5.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.07 -176.57 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 454' ' ' VAL . 8.7 p -147.57 130.04 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.535 HG11 HD13 ' A' ' 443' ' ' ILE . 3.1 t -92.46 123.65 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -133.31 100.86 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.489 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 18.3 p90 -93.61 158.55 36.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.52 118.53 2.21 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 60.61 50.05 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.489 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 12.1 tmtt? -84.96 -53.9 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.23 94.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 25.2 m -65.51 137.34 57.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -84.21 -39.82 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 42.2 t -72.06 140.23 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -88.87 41.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -115.53 95.11 42.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -43.36 166.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.266 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 470' ' ' LYS . 59.3 Cg_endo -72.82 -173.94 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 469' ' ' PRO . 0.0 OUTLIER -32.42 -69.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -175.21 61.61 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 6.6 p90 -156.0 123.83 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -142.48 164.1 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.06 111.06 19.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 55.9 mt -84.14 137.38 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 50.5 mt -124.89 77.65 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -54.03 138.67 36.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.73 -52.56 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.91 151.47 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -74.33 -39.78 62.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 75.0 m -44.52 -51.83 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 83.7 p -45.07 -41.2 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 427' ' ' ARG . 92.7 t -49.41 -58.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.58 -45.62 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.521 HD12 ' CE2' ' A' ' 450' ' ' PHE . 15.0 tp -52.88 -46.25 67.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 57.9 mt -67.13 -22.5 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -82.19 -34.06 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -86.45 -30.14 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 499' ' ' LEU . 68.5 m -82.65 117.53 22.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.75 178.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -145.24 139.86 27.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -115.81 -72.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -129.33 70.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.62 -22.7 6.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -102.77 153.27 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.57 171.11 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -156.71 118.63 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 511' ' ' VAL . 13.8 tp -110.47 143.82 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 25.2 p -96.7 129.99 44.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.521 HG12 ' OG ' ' A' ' 446' ' ' SER . 8.2 m -127.13 126.63 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 98.2 p -107.74 119.91 40.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.9 p -109.77 158.14 35.69 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -46.9 -24.44 3.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 81.2 p -109.1 -66.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 34.5 mm -73.74 149.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 26.1 mmtt -91.51 171.27 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.8 m-20 -34.13 106.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.825 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -115.03 133.48 22.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.36 90.75 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.547 HG23 HD11 ' A' ' 513' ' ' ILE . 3.0 m -76.24 132.9 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -68.86 106.52 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 511' ' ' VAL . 16.1 mm -101.7 110.2 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 516' ' ' TRP . 54.3 mtp180 -127.48 94.01 39.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.64 0.733 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.04 85.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 514' ' ' ARG . 32.3 t-105 -56.39 130.77 46.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -123.53 108.38 12.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.6 tp -90.24 134.62 34.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 56.0 m -61.47 116.43 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -139.94 106.8 5.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 3.6 m -80.32 118.83 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.83 136.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.77 129.43 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 526' ' ' ASP . 0.4 OUTLIER -91.59 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 525' ' ' MET . 17.0 m-20 -35.96 119.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.0 t -104.34 104.73 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -168.46 67.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.03 -25.16 9.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 15.1 m -157.4 151.21 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 58.4 m -108.11 131.66 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.5 m 39.9 48.17 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.3 m -67.14 119.43 12.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -174.38 -139.48 2.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 47.0 t -163.97 117.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.6 m -85.88 83.72 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -146.61 173.08 26.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.0 m -59.04 147.54 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 429' ' ' VAL . 13.0 mtm105 -95.11 -45.39 7.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -51.64 129.16 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.638 ' CG1' HG23 ' A' ' 513' ' ' ILE . 42.9 t -127.25 123.81 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -85.93 125.51 33.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.726 HG22 ' CD1' ' A' ' 513' ' ' ILE . 58.7 t -120.91 112.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.14 119.62 4.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 120.3 35.57 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 53.6 mt -81.96 142.39 48.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.575 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.5 Cg_exo -47.73 146.33 8.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.0 0.4 10.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.34 30.0 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.1 tt -110.08 142.72 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -108.96 -179.38 3.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.1 tt0 -51.68 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 21.5 t0 -36.65 -66.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.452 ' CB ' HG13 ' A' ' 438' ' ' ILE . 11.4 mt-10 -35.14 -61.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 82.2 mt -47.07 -44.24 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.425 HG22 ' HG2' ' A' ' 448' ' ' ARG . 5.0 m -59.45 -59.93 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.52 -27.65 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 54.8 m -69.63 -25.45 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -126.34 26.16 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 451' ' ' GLY . 9.0 mmt180 -83.4 -49.31 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 448' ' ' ARG . 7.0 ptm180 -38.32 -38.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 49.9 m-85 -66.53 -41.75 88.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 154.12 161.28 10.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.74 122.99 5.49 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' A' ' 477' ' ' PHE . 2.3 pt? -144.6 -175.57 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 476' ' ' LEU . 2.6 p -146.21 146.26 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.22 128.97 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -139.93 110.72 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.554 ' CZ2' ' HE2' ' A' ' 460' ' ' LYS . 11.3 p90 -99.42 144.3 28.03 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 138.21 10.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . 0.48 ' CG ' ' OE2' ' A' ' 462' ' ' GLU . 10.6 m170 61.83 43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.554 ' HE2' ' CZ2' ' A' ' 457' ' ' TRP . 19.7 tptp -77.2 -44.57 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -71.92 -58.83 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.48 ' OE2' ' CG ' ' A' ' 459' ' ' HIS . 1.2 pt-20 -49.72 -25.34 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 31.6 t -93.76 159.33 15.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -104.52 -62.24 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 66.6 m -48.81 165.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 467' ' ' PHE . 13.3 p90 -96.89 -48.41 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 466' ' ' TYR . 13.9 m-85 -33.78 96.87 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 466' ' ' TYR . 72.9 Cg_exo -43.45 163.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.1 Cg_exo -46.19 177.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.3 mptt -34.08 -51.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.56 71.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 32.1 p90 -170.85 125.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.68 161.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -108.23 142.07 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 73.3 mt -112.01 137.14 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.566 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.0 mt -119.18 110.18 16.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.502 ' CE1' HD13 ' A' ' 453' ' ' LEU . 90.2 m-85 -91.23 115.44 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -49.96 -51.0 44.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -92.57 111.35 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -45.2 -43.04 9.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.7 t -44.71 -46.73 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 57.9 m -47.32 -41.79 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 427' ' ' ARG . 75.4 t -48.5 -46.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -56.14 -67.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -38.56 -37.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 12.8 tp -63.38 -60.57 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 497' ' ' LEU . 79.7 mt -45.99 -53.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -49.79 -45.57 49.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.03 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 49.2 m -58.09 121.98 11.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.47 156.23 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -107.37 129.6 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -147.35 106.93 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 27.2 t70 61.91 48.55 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 62.8 29.25 73.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -132.39 156.28 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.631 HD11 HG23 ' A' ' 487' ' ' ILE . 29.7 mt -105.2 141.16 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -144.83 127.28 15.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.3 tp -114.97 149.37 37.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 90.4 m -98.46 132.57 43.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -134.97 115.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 19.5 p -83.87 153.33 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 m -142.11 149.91 53.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.85 -36.52 15.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.354 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 7.9 p -103.81 -45.58 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 mm -93.11 142.56 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 508' ' ' ASP . 35.9 mmtt -85.42 172.54 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 507' ' ' LYS . 17.4 p-10 -34.29 100.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 509' ' ' LYS . 0.1 OUTLIER -106.22 126.93 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.92 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 62.6 Cg_endo -78.56 105.86 2.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.7 m -92.51 155.28 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.49 102.56 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.726 ' CD1' HG22 ' A' ' 431' ' ' VAL . 46.9 mm -98.0 100.0 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -115.27 91.27 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.77 92.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -39.71 109.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -135.16 128.62 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.66 134.26 47.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.6 t -67.1 121.57 15.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.09 171.12 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 67.6 p -125.89 -52.3 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -156.67 129.99 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -95.47 131.45 41.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.29 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 33.5 mtt -131.42 140.91 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -165.43 158.03 15.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 15.4 t -119.75 143.65 47.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -177.92 95.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.06 112.64 3.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 16.7 m -94.58 113.12 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 9.1 t -174.15 143.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.8 m -40.84 -51.35 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.4 m -130.81 103.86 6.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 134.88 -165.02 24.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.3 m -123.89 150.59 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.2 t -128.61 42.09 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 179.29 152.58 10.74 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 8.1 m -93.43 170.68 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 480' ' ' GLU . 61.4 mtm-85 -59.73 -46.24 89.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.63 134.44 55.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 63.3 t -135.86 125.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -89.87 112.8 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 34.8 t -109.1 136.49 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -129.3 163.5 22.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 73.62 36.18 54.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.2 140.95 69.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.577 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.9 Cg_exo -47.88 144.69 11.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.03 3.56 7.51 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.677 2.252 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.98 32.97 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.9 tt -110.96 155.71 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.33 -175.09 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.7 tm-20 -58.04 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.7 t0 -36.15 -49.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.412 ' CB ' HG13 ' A' ' 438' ' ' ILE . 13.4 mm-40 -52.01 -60.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.2 mt -47.76 -37.78 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 448' ' ' ARG . 47.6 m -62.65 -59.48 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.41 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.2 m -56.6 -32.76 65.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.443 ' O ' HD22 ' A' ' 453' ' ' LEU . 68.4 m-85 -120.15 35.24 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.659 ' HG2' HG22 ' A' ' 444' ' ' THR . 8.7 mmm180 -96.72 -31.11 12.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -55.43 -18.87 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 71.3 m-85 -89.45 -41.62 11.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.65 -173.68 41.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.02 120.53 5.78 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -138.22 173.87 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 454' ' ' VAL . 12.2 p -131.41 128.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.48 118.97 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.01 98.3 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.579 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 15.5 p90 -99.65 148.95 35.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 136.59 8.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 62.36 51.91 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 33.4 tttp -108.92 -45.78 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.2 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.52 -46.8 24.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 28.2 t -47.23 144.28 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -87.86 -55.07 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 40.9 m -63.92 141.37 58.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -84.7 44.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.96 144.29 34.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.694 0.759 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.43 ' HA ' ' CE2' ' A' ' 457' ' ' TRP . 61.5 Cg_endo -77.18 169.63 21.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.579 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -73.89 -175.97 2.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 469' ' ' PRO . 5.7 mtpm? -33.28 -57.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.25 72.86 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 33.3 p90 -175.09 119.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -139.23 164.16 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -114.87 110.44 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.29 122.14 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . . . . . . . . . 89.1 mt -106.61 84.63 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.52 123.58 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -47.91 -60.24 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.3 136.58 36.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.458 ' HG3' ' CG ' ' A' ' 427' ' ' ARG . 15.4 mt-10 -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 5.8 t -41.74 -54.69 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 56.1 p -42.97 -40.93 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 78.1 t -47.57 -58.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.79 -55.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.63 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.536 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 30.3 tp -60.35 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 497' ' ' LEU . 68.5 mt -43.16 -53.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.06 -36.77 65.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.37 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 62.5 m -61.67 114.05 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.04 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -149.25 140.97 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.67 -73.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -126.77 70.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.39 -29.75 3.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -98.87 153.95 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.435 HD11 HG23 ' A' ' 487' ' ' ILE . 25.3 mt -94.84 167.08 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.419 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 95.8 m-85 -158.09 121.81 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.39 143.86 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -98.96 136.73 38.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.42 118.49 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -98.57 114.64 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.6 p -100.28 155.36 36.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.65 -20.69 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 18.7 p -119.42 -67.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.13 134.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -68.64 172.56 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.63 111.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -106.44 128.92 25.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.46 87.54 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 14.7 m -84.39 137.54 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -73.84 142.54 46.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.8 mm -123.99 119.92 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 516' ' ' TRP . 1.2 mmp_? -131.93 87.78 43.61 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.93 84.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 514' ' ' ARG . 45.4 t-105 -38.31 146.63 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -114.71 125.87 54.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.87 105.63 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 21.7 t -162.82 162.92 26.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -105.17 115.02 29.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 31.4 m -89.4 118.94 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -162.61 135.51 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -45.14 140.27 2.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.65 128.13 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.8 ttp -85.62 165.33 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 526' ' ' ASP . 1.6 p30 -91.16 170.23 10.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 10.1 t -162.28 117.06 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 177.53 68.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.86 152.05 31.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.383 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 9.2 t -132.75 142.94 49.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 64.4 p -164.31 146.39 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 30.0 m -60.42 146.81 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 74.4 p -114.43 146.53 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 125.23 -115.78 2.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 10.0 t 45.75 40.43 6.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 77.6 p -143.03 111.28 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 167.52 -53.72 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t -88.13 142.66 27.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.742 ' HA ' HG21 ' A' ' 483' ' ' VAL . 4.7 mtt85 -89.93 -42.54 11.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.417 ' HD3' ' CD1' ' A' ' 516' ' ' TRP . 17.6 tttp -45.83 146.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t -137.54 143.95 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -106.03 117.94 35.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 42.9 t -119.18 120.12 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.49 138.52 13.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.92 3.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.14 141.19 49.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -48.07 147.42 8.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.322 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.98 0.39 10.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -133.32 36.6 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.8 tt -120.77 133.13 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 439' ' ' ASP . 41.4 p30 -101.02 -174.83 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 441' ' ' ASP . 30.0 tt0 -55.41 -69.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.4 m-20 -33.76 -64.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 442' ' ' GLU . 0.1 OUTLIER -42.12 -57.16 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 97.4 mt -50.0 -44.44 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 448' ' ' ARG . 35.4 m -55.94 -55.78 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.71 -36.64 57.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 68.1 m -62.37 -33.35 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 499' ' ' LEU . 64.3 m-85 -121.63 22.17 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 444' ' ' THR . 13.0 tpt180 -83.07 -45.8 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 448' ' ' ARG . 13.8 ptm180 -36.09 -50.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.63 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.2 m-85 -54.56 -47.66 72.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.31 160.88 12.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.09 128.0 11.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.05 -176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.9 p -144.42 134.86 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.98 137.39 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.49 109.92 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 468' ' ' PRO . 7.7 p90 -100.03 158.05 32.74 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.74 152.65 53.27 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 13.5 m170 63.83 43.56 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 463' ' ' SER . 37.7 tttm -93.25 -53.38 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -40.26 -53.12 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -83.31 36.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 460' ' ' LYS . 10.3 t -114.71 144.78 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.98 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 80.4 p -117.65 153.58 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -88.71 34.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -111.4 98.27 39.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -42.74 165.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -46.04 176.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -40.54 -54.35 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.54 64.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 27.1 p90 -169.55 128.82 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.928 0.394 . . . . 0.0 110.93 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.94 175.2 10.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -122.31 137.84 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 23.6 mt -114.22 136.98 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 22.0 mt -117.45 90.2 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -66.14 134.51 52.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -60.32 -65.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.07 121.15 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -48.09 -37.48 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.4 m -49.48 -51.41 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 5.9 m -43.51 -43.88 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.742 HG21 ' HA ' ' A' ' 427' ' ' ARG . 91.4 t -48.52 -53.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -59.03 -52.99 63.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.72 50.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.63 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.2 tp -57.86 -51.88 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 497' ' ' LEU . 49.8 mt -56.36 -42.16 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.6 -41.17 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.82 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 80.5 m -67.47 112.34 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 16.0 mt -51.67 178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -141.4 138.64 33.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -70.29 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -133.7 72.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.57 -28.12 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -102.65 153.16 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.871 HD11 HG23 ' A' ' 487' ' ' ILE . 16.0 mt -92.19 174.09 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.479 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 92.1 m-85 -159.93 119.99 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 511' ' ' VAL . 15.5 tp -111.16 135.77 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.7 m -86.59 136.56 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.5 m -134.5 117.45 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 78.1 p -100.01 124.76 45.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 12.1 m -113.09 158.85 36.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.11 -21.88 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 32.9 p -120.3 -53.19 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 49.5 mm -78.61 142.11 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 508' ' ' ASP . 1.2 mmmm -86.62 167.53 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.2 p-10 -35.12 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -103.08 127.02 30.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.27 84.8 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.642 2.228 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 499' ' ' LEU . 4.8 m -73.15 144.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -80.05 107.57 12.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 31.3 mm -98.0 107.26 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -125.91 93.05 44.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.735 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 90.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.417 ' CD1' ' HD3' ' A' ' 428' ' ' LYS . 45.7 t-105 -45.6 95.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 518' ' ' LEU . 9.8 p-10 -99.48 115.64 29.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 520' ' ' ASP . 1.1 tp -34.19 144.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 73.1 m -80.05 -48.02 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . 0.484 ' HB2' HD23 ' A' ' 518' ' ' LEU . 4.3 t70 39.27 41.21 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 47.8 t -94.8 91.8 6.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -132.67 115.58 15.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.69 146.16 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 88.1 t -140.02 130.76 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 6.8 tpt -67.41 148.78 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.59 174.53 11.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.4 m -105.13 -53.07 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 51.26 92.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.95 -172.3 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.235 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 56.7 p -68.47 -53.65 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.5 m -73.2 -64.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 421' ' ' SER . 36.7 t -72.56 158.91 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' SER . 37.8 t -38.02 147.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 93.76 177.0 39.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 66.0 m -93.68 155.19 17.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 23.9 m -79.36 168.42 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -175.49 133.17 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 4.8 t -154.45 150.56 27.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 477' ' ' PHE . 6.3 mtp-105 -87.76 -35.11 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.444 ' CG ' HD21 ' A' ' 476' ' ' LEU . 20.4 mtmm -58.97 131.26 50.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.682 HG21 ' HE2' ' A' ' 477' ' ' PHE . 92.5 t -126.1 125.4 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -88.57 108.8 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 513' ' ' ILE . 19.2 t -106.21 118.66 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -117.13 171.29 13.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.35 77.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.08 143.6 35.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.14 142.96 8.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.294 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -80.1 14.5 1.91 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.721 2.28 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 438' ' ' ILE . 1.6 m-20 -132.77 -38.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 437' ' ' ASP . 15.4 tt -36.95 137.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.49 -174.83 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 441' ' ' ASP . 32.7 tt0 -61.28 -70.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 440' ' ' GLU . 0.5 OUTLIER -34.1 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 441' ' ' ASP . 9.9 mt-10 -34.47 -63.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 87.9 mt -39.91 -56.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 1.3 m -50.02 -54.85 17.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.14 -28.46 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 15.5 t -69.7 -20.76 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -128.33 12.83 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -69.7 -42.39 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -39.85 -49.87 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.3 m-85 -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 165.87 -167.75 39.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 123.72 7.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.3 pt? -144.65 -175.54 4.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.4 p -140.42 145.84 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.3 t -101.51 118.48 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.68 113.21 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 460' ' ' LYS . 3.0 p90 -99.89 159.1 30.8 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -43.86 -54.79 3.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . 0.412 ' O ' ' CB ' ' A' ' 463' ' ' SER . 94.1 m-70 -97.97 74.78 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 457' ' ' TRP . 37.7 tttm -108.12 -55.3 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.87 -58.05 10.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.61 -49.82 71.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 459' ' ' HIS . 27.8 t -46.6 120.24 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -30.63 23.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 12.1 p -78.22 -179.08 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 467' ' ' PHE . 34.2 p90 -116.07 21.15 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . 0.52 ' CZ ' ' CZ ' ' A' ' 466' ' ' TYR . 42.0 m-85 -107.86 94.93 13.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 466' ' ' TYR . 74.7 Cg_exo -43.19 165.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.4 Cg_exo -45.87 177.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 469' ' ' PRO . 14.9 ttmm -35.51 -59.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -173.57 49.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 6.9 p90 -147.15 137.34 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.916 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.31 164.15 36.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -114.98 119.74 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.475 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.4 mt -96.46 135.27 38.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 428' ' ' LYS . 41.7 mt -116.6 95.81 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.682 ' HE2' HG21 ' A' ' 429' ' ' VAL . 82.3 m-85 -69.23 109.46 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -46.67 -41.48 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -102.7 118.55 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -49.64 -32.76 13.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' SER . 37.5 p -54.83 -55.84 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 481' ' ' SER . 23.1 m -37.53 -45.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -42.96 -52.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 485' ' ' ALA . 66.8 tp60 -55.62 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 484' ' ' GLN . . . -34.39 -39.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.527 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 17.5 tp -63.68 -57.34 10.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 497' ' ' LEU . 95.4 mt -48.38 -34.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.42 -36.37 71.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.29 -42.38 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.3 m -64.37 111.2 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.3 mt -44.39 164.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -118.21 122.74 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -132.28 87.82 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 20.3 t0 72.06 41.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.44 -35.04 3.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -71.56 163.26 28.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.652 HD11 HG23 ' A' ' 487' ' ' ILE . 81.6 mt -119.74 151.72 38.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -148.33 146.99 28.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.3 tp -129.42 143.66 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.55 132.54 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 501' ' ' VAL . 12.4 m -144.02 121.46 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.0 p -110.54 130.3 55.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 506' ' ' ILE . 49.3 m -106.83 155.71 38.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.58 -19.51 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 41.2 p -116.18 -34.11 4.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 503' ' ' SER . 48.2 mm -105.06 144.55 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -87.1 164.9 16.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -33.82 110.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -117.44 128.75 25.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 92.59 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.615 HG23 HD11 ' A' ' 513' ' ' ILE . 11.7 m -80.67 132.46 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.92 103.67 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.615 HD11 HG23 ' A' ' 511' ' ' VAL . 6.8 mm -96.71 113.12 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 516' ' ' TRP . 7.8 mtp-105 -127.12 93.24 42.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.827 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.9 87.83 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 514' ' ' ARG . 53.9 t-105 -40.85 98.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 517' ' ' ASN . 2.5 p30 -73.67 108.04 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 518' ' ' LEU . 4.4 pp -61.66 131.29 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 4.0 m -81.23 79.82 7.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 518' ' ' LEU . 23.0 t0 -139.74 170.0 16.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 33.6 t -115.43 152.53 32.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -168.92 134.09 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -85.93 155.85 20.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 94.1 t -109.19 97.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.89 163.16 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.83 167.51 28.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.1 t -158.42 156.21 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 176.62 80.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.18 134.54 14.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 90.6 p -85.65 157.48 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 58.5 m -146.11 169.48 18.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 20.9 t -98.02 117.51 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 2.0 t -51.31 113.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -145.22 71.61 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 98.2 p -88.45 135.96 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 42.6 p -93.9 -58.43 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 146.15 -93.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 96.5 p -72.03 129.43 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -97.46 -31.42 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.539 ' HE2' HD21 ' A' ' 476' ' ' LEU . 3.4 tppp? -56.46 137.35 53.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.65 116.15 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -83.95 132.11 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 475' ' ' LEU . 26.9 t -125.7 121.45 59.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.27 117.6 2.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 128.91 19.59 1.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 26.9 mt -67.89 144.29 97.11 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.585 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.2 Cg_exo -46.5 148.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.265 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.63 0.39 10.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -134.84 37.46 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.8 tt -113.18 136.36 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -97.57 172.77 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 441' ' ' ASP . 65.3 tt0 -50.05 -68.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 442' ' ' GLU . 10.0 t0 -37.48 -64.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 441' ' ' ASP . 6.8 mm-40 -36.32 -61.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 59.7 mt -42.79 -57.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.487 HG22 ' HG2' ' A' ' 448' ' ' ARG . 25.7 m -47.63 -57.05 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.82 -29.66 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -71.48 -25.25 62.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.562 ' O ' HD22 ' A' ' 453' ' ' LEU . 81.9 m-85 -121.38 23.66 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.487 ' HG2' HG22 ' A' ' 444' ' ' THR . 7.3 mmm180 -82.1 -50.83 8.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 448' ' ' ARG . 9.4 ptm180 -34.83 -53.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 67.7 m-85 -53.04 -42.73 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 156.47 158.87 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.43 125.87 7.88 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -145.14 -175.18 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 13.0 p -146.05 131.74 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 475' ' ' LEU . 12.5 t -93.45 113.98 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -128.44 114.78 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.526 ' CE2' ' HG2' ' A' ' 460' ' ' LYS . 6.0 p90 -100.05 159.31 30.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.13 125.43 6.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 62.65 37.84 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.526 ' HG2' ' CE2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -56.46 -51.64 67.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . 0.474 ' HB3' ' OE2' ' A' ' 462' ' ' GLU . . . -35.07 -44.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 461' ' ' ALA . 2.3 mp0 -91.96 125.92 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 75.9 p -169.27 153.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -109.51 -64.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.2 t -105.83 178.56 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.543 ' O ' ' CD2' ' A' ' 466' ' ' TYR . 30.1 p90 -85.9 38.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.6 102.34 35.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.09 148.35 39.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 73.5 Cg_exo -47.44 -179.25 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.33 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.588 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 21.6 mtmm -33.82 149.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -47.19 90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 470' ' ' LYS . 11.4 p90 -174.96 135.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -168.16 171.4 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.24 122.32 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.621 HD11 HG21 ' A' ' 431' ' ' VAL . 13.8 mt -96.03 148.5 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 428' ' ' LYS . 27.5 mt -130.15 96.36 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 478' ' ' GLN . 79.8 m-85 -73.58 109.98 7.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 477' ' ' PHE . 11.9 tt0 -37.64 -56.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -93.51 156.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -42.67 21.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' SER . 26.5 t -42.04 -59.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' SER . 59.4 p -36.05 -51.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.53 -57.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -45.85 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.41 -35.23 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.5 tp -64.92 -52.07 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.585 HG23 HD11 ' A' ' 497' ' ' LEU . 76.3 mt -56.18 -56.68 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -46.15 -40.5 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.23 56.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 81.1 m -65.48 142.36 58.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 28.2 mt -91.11 138.07 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -111.98 133.45 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -121.3 -70.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -122.15 84.67 2.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.19 16.9 3.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -139.5 144.42 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.585 HD11 HG23 ' A' ' 487' ' ' ILE . 41.1 mt -97.72 169.83 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 78.0 m-85 -158.13 126.19 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 511' ' ' VAL . 22.3 tp -118.48 135.13 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 76.3 m -89.69 132.81 34.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 501' ' ' VAL . 17.4 m -133.52 118.19 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 12.0 m -91.55 117.85 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 49.3 m -102.89 155.2 36.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.04 -31.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 38.1 p -106.23 -60.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.24 137.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 508' ' ' ASP . 11.3 mmtp -75.9 172.6 12.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.7 OUTLIER -34.23 106.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.18 126.25 30.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.88 89.81 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 499' ' ' LEU . 5.6 m -79.28 147.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -84.15 101.71 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 431' ' ' VAL . 22.8 mm -96.28 115.41 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 516' ' ' TRP . 19.4 ttm180 -127.32 93.41 41.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.659 0.742 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.72 84.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.373 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 514' ' ' ARG . 46.7 t-105 -54.94 142.35 30.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -110.8 89.68 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 518' ' ' LEU . 0.5 OUTLIER -39.36 -49.93 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 60.6 p -120.68 175.37 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.03 147.84 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 89.4 p -129.91 162.83 27.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.14 135.82 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -104.69 134.11 48.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 10.5 p -146.13 137.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.9 tpt -75.19 121.03 21.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.2 146.36 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 87.8 p -130.62 130.84 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 179.78 146.06 6.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.18 101.69 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.9 t -44.5 137.38 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 82.8 p 38.74 41.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.5 t -143.28 151.15 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.6 t -49.82 -45.23 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 109.8 131.8 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 52.6 p -109.85 133.85 52.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.917 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.8 m -155.12 148.43 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 168.96 111.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.2 m -109.22 179.74 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.497 ' HA ' HG21 ' A' ' 483' ' ' VAL . 55.9 mtm-85 -75.68 -43.52 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 474' ' ' PHE . 15.1 tttp -43.78 144.39 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 427' ' ' ARG . 88.3 t -140.11 127.63 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -87.54 127.24 35.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 513' ' ' ILE . 18.6 t -126.21 116.97 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -118.84 153.55 16.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 85.91 36.11 10.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.9 mt -79.13 142.47 59.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.593 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.9 Cg_exo -47.2 146.36 6.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.29 1.76 8.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -131.56 31.73 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.6 tt -112.29 150.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.56 ' OD1' ' CE1' ' A' ' 467' ' ' PHE . 0.2 OUTLIER -118.4 -176.28 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 441' ' ' ASP . 6.0 tm-20 -55.28 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 440' ' ' GLU . 6.4 t70 -34.34 -59.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.89 -57.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.529 HD11 ' HG2' ' A' ' 468' ' ' PRO . 65.9 mt -48.43 -51.98 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 448' ' ' ARG . 5.4 m -48.57 -52.78 21.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.8 -33.88 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 63.8 m -67.1 -28.47 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.458 ' CE2' HD23 ' A' ' 499' ' ' LEU . 58.7 m-85 -124.77 25.63 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.6 tpp180 -87.24 -43.82 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 448' ' ' ARG . 18.8 ptt180 -37.36 -49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 52.2 m-85 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.62 -169.42 37.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.21 127.09 9.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -149.13 177.92 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -136.79 137.79 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 9.7 t -91.95 139.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -152.0 108.95 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.591 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.8 p90 -100.03 149.31 35.88 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.93 -54.57 5.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -77.33 57.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 25.3 tttt -134.18 -53.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.81 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.47 -52.69 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 26.5 m -115.15 79.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.24 144.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 3.0 m -174.99 -178.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 466' ' ' TYR . 1.1 p90 -117.6 -23.7 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . 0.56 ' CE1' ' OD1' ' A' ' 439' ' ' ASP . 7.9 m-85 -97.48 108.81 47.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.529 ' HG2' HD11 ' A' ' 443' ' ' ILE . 74.3 Cg_exo -48.2 160.34 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 71.9 Cg_exo -46.21 178.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -39.22 -38.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 169.26 66.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 31.9 p90 -175.04 123.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.33 170.07 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 428' ' ' LYS . 60.6 m-85 -117.75 138.43 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.465 ' HB3' HD12 ' A' ' 453' ' ' LEU . 32.8 mt -112.57 129.61 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 18.8 mt -110.52 96.2 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -73.44 134.01 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -66.87 -58.77 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.85 109.51 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -42.01 -43.91 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 38.7 t -42.93 -56.51 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 99.9 p -39.91 -52.81 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 427' ' ' ARG . 88.1 t -38.39 -50.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -55.65 -58.76 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.16 -34.19 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 29.2 tp -65.69 -54.75 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 497' ' ' LEU . 78.2 mt -51.69 -50.92 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -53.45 -43.64 68.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.93 77.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 63.6 m -65.04 109.42 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.85 -178.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -147.05 142.16 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -125.58 -70.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.16 89.96 2.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 52.66 14.52 2.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -137.88 147.13 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 487' ' ' ILE . 27.2 mt -97.56 170.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.428 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.6 m-85 -158.95 139.1 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 447' ' ' PHE . 32.3 tp -128.84 148.5 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.05 131.13 41.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 501' ' ' VAL . 19.7 m -129.0 113.8 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 85.3 p -86.54 139.21 31.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.7 m -129.1 156.29 78.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.65 -39.77 18.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 39.7 p -101.55 -60.83 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.1 mm -76.18 149.9 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 508' ' ' ASP . 23.2 mmtm -90.73 171.45 9.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.9 OUTLIER -34.67 105.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -105.24 132.08 21.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.11 93.94 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.55 146.87 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -81.76 104.62 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 431' ' ' VAL . 41.0 mm -96.73 109.31 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -127.53 93.21 41.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.88 97.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -59.84 89.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -75.73 94.2 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.9 tp -106.4 109.36 21.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.6 t -169.28 117.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 521' ' ' SER . 1.1 t70 -95.06 -57.84 2.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 520' ' ' ASP . 66.1 m -36.01 119.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -127.97 20.96 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -152.48 149.35 28.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 89.7 t -129.1 143.23 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 7.8 ttt -113.16 159.61 19.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.13 43.32 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 48.5 m -83.26 -46.67 12.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -122.02 95.17 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.59 96.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.276 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 16.6 t 48.42 42.21 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 33.2 t -110.5 146.04 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.6 p -115.83 142.83 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.6 t -70.52 107.24 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.03 38.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 4.9 t -105.06 88.7 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 p -53.59 96.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -76.6 -178.84 46.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 16.1 m -73.54 177.21 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.585 ' O ' HG23 ' A' ' 429' ' ' VAL . 52.7 mtm180 -63.44 -44.81 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.487 ' HG2' HD21 ' A' ' 476' ' ' LEU . 14.2 mmtm -55.54 112.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.6 t -114.6 104.33 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.92 123.51 21.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.43 134.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.25 159.79 23.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 81.38 17.74 70.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 42.3 mt -57.66 141.52 79.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.723 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 438' ' ' ILE . 72.6 Cg_exo -47.24 145.85 7.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 4.07 7.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -132.87 30.66 4.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.8 tt -109.94 162.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.73 -174.92 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -59.31 -61.54 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 442' ' ' GLU . 3.3 m-20 -45.95 -65.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 441' ' ' ASP . 10.1 mm-40 -34.45 -61.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.9 mt -45.52 -42.71 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 441' ' ' ASP . 38.3 m -61.76 -60.94 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -54.83 -25.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 21.3 t -74.38 -23.53 59.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.414 ' HB2' HD11 ' A' ' 453' ' ' LEU . 37.9 m-85 -121.68 18.91 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -83.98 -22.68 31.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -52.14 -33.56 40.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 486' ' ' LEU . 63.7 m-85 -80.13 -30.08 38.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 148.93 160.05 8.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.48 127.24 7.46 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.4 pt? -146.67 168.29 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 476' ' ' LEU . 14.9 p -130.37 132.78 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.57 147.14 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.86 108.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CH2' ' NZ ' ' A' ' 460' ' ' LYS . 5.4 p90 -99.04 153.1 37.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.539 0.685 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.98 -61.05 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.23 71.16 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.481 ' NZ ' ' CH2' ' A' ' 457' ' ' TRP . 21.0 tttp -121.32 -69.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.28 69.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.12 33.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 4.1 t -132.27 173.03 11.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -115.62 -44.36 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 28.8 t -84.98 159.68 20.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -105.95 31.31 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -110.68 97.0 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -43.36 102.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.589 ' O ' ' CD2' ' A' ' 472' ' ' TYR . 72.9 Cg_exo -44.04 152.78 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 469' ' ' PRO . 12.0 tttp 35.71 31.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 469' ' ' PRO . . . 45.57 93.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.43 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 469' ' ' PRO . 4.4 p90 -175.25 138.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -161.89 165.68 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.063 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -113.95 123.36 49.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 19.7 mt -89.4 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.524 ' HB2' HG13 ' A' ' 454' ' ' VAL . 27.2 mt -120.01 79.65 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.08 116.64 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -39.08 -44.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -111.45 149.03 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -72.01 -42.26 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 482' ' ' SER . 40.0 t -39.78 -62.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 481' ' ' SER . 51.8 p -35.29 -52.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 482' ' ' SER . 96.6 t -34.37 -48.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -55.89 -53.85 51.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -52.71 -30.51 32.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 450' ' ' PHE . 23.9 tp -69.5 -52.43 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.466 HG23 HD11 ' A' ' 497' ' ' LEU . 57.7 mt -53.47 -43.01 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.51 -45.9 90.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.88 80.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.47 115.86 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.31 -178.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 492' ' ' GLU . 6.6 tm-20 -142.42 138.46 31.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.446 ' C ' ' OE2' ' A' ' 492' ' ' GLU . 9.7 tt0 -116.49 -72.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -130.85 71.34 1.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 81.88 -23.85 4.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -102.97 152.89 20.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 24.3 mt -94.31 170.87 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 70.5 m-85 -160.36 129.99 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.1 tp -123.86 130.52 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 80.3 m -80.51 142.17 34.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.99 113.22 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 99.3 p -88.29 131.99 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 58.2 m -116.66 156.84 47.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -22.31 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 42.8 p -120.67 -63.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.32 145.7 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.6 mmmt -84.62 166.46 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 507' ' ' LYS . 0.8 OUTLIER -34.66 103.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -107.62 130.95 22.11 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.722 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.69 101.83 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 499' ' ' LEU . 3.3 m -96.25 125.85 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . 0.463 ' O ' HD13 ' A' ' 513' ' ' ILE . 16.6 mt-30 -57.7 141.53 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 512' ' ' GLN . 18.4 mm -128.45 129.54 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 516' ' ' TRP . 16.1 ttt180 -145.6 105.03 4.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 517' ' ' ASN . 54.5 Cg_exo -53.67 78.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 514' ' ' ARG . 76.7 t-105 -45.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 515' ' ' PRO . 4.1 p30 -69.81 121.38 17.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 4.5 tp -81.79 -44.93 16.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.1 p -169.56 120.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -50.67 152.92 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 85.8 p -174.87 159.98 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -167.41 120.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -88.3 128.46 35.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.19 135.02 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 31.6 ttm 59.26 41.53 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.96 89.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.6 p -54.87 93.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 159.83 95.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 530' ' ' SER . 63.3 Cg_endo -79.22 20.42 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 529' ' ' PRO . 4.7 t -34.54 118.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 21.9 t -109.53 140.99 42.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.532 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.3 m 50.27 45.51 25.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.385 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.5 m -115.69 82.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 133.69 62.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 47.2 t -159.78 145.43 15.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 60.3 p -91.08 167.55 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -173.39 124.5 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 7.1 m -80.89 146.67 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 483' ' ' VAL . 76.9 mtm180 -57.05 -58.36 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 48.6 tttp -35.52 128.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 427' ' ' ARG . 60.0 t -122.05 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -98.69 113.34 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 37.2 t -112.83 116.84 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.02 139.39 15.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 102.48 31.69 5.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.3 mt -78.24 142.12 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.642 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.7 Cg_exo -47.62 146.37 7.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.85 -0.12 10.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -134.97 38.69 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 435' ' ' PRO . 16.0 tt -113.1 141.26 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.29 -176.26 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 441' ' ' ASP . 11.1 tt0 -60.01 -70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 440' ' ' GLU . 1.5 m-20 -34.15 -59.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.27 -60.66 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.27 -47.86 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 11.4 m -52.87 -55.78 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.73 -38.52 60.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.2 t -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 499' ' ' LEU . 91.6 m-85 -121.11 33.43 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -97.5 -41.9 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -24.14 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.518 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 88.8 m-85 -78.06 -37.19 47.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 155.55 157.8 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 119.35 2.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.3 pt? -138.85 -177.11 4.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.8 p -141.07 134.09 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.45 HG12 ' CE3' ' A' ' 457' ' ' TRP . 45.5 t -87.3 117.52 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -134.27 102.03 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.457 ' HB2' ' CD ' ' A' ' 469' ' ' PRO . 9.0 p90 -99.84 155.41 36.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 149.07 61.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . 0.403 ' CD2' ' N ' ' A' ' 459' ' ' HIS . 7.9 m170 65.46 53.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 461' ' ' ALA . 22.6 tttt -100.54 -58.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 460' ' ' LYS . . . -36.74 -56.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -50.01 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 27.7 m -79.83 84.52 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.18 78.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.4 t -169.33 158.86 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -88.69 38.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -121.01 126.91 26.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.451 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 62.5 Cg_endo -77.99 159.93 30.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.8 Cg_exo -46.28 178.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 86.4 mttt -34.02 -49.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 179.17 68.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.7 p90 -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -147.11 171.69 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.546 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 84.2 m-85 -120.43 120.15 35.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.63 125.62 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 53.0 mt -110.33 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -52.27 149.19 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -76.55 -62.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -90.15 115.3 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -44.26 -37.16 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 48.1 m -52.02 -42.25 62.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 59.8 p -56.0 -27.36 52.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 427' ' ' ARG . 99.9 t -63.71 -49.87 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -51.33 -55.48 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.02 23.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.518 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 23.1 tp -55.81 -60.94 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 74.9 mt -42.95 -58.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -50.45 -42.53 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.06 80.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 56.6 m -66.3 113.28 4.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.48 -177.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.46 138.72 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -117.91 -74.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -125.34 70.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.42 -29.31 3.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -98.24 154.83 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.462 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 22.6 mt -95.15 170.87 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.462 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 96.8 m-85 -159.79 134.17 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 447' ' ' PHE . 19.7 tp -120.62 141.68 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 75.3 m -92.83 129.11 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 501' ' ' VAL . 16.7 m -126.79 114.59 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 23.9 p -90.13 130.16 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 36.9 m -117.66 157.64 47.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.89 -19.54 0.3 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 31.0 p -131.02 -65.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.91 103.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -46.67 171.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -42.5 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -108.02 134.33 20.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -79.73 92.15 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.96 147.56 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -80.75 107.95 13.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 28.0 mm -97.08 99.16 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 516' ' ' TRP . 18.2 ttt180 -117.85 94.02 45.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 71.2 Cg_exo -45.39 87.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 514' ' ' ARG . 64.4 t-105 -36.25 141.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -102.92 111.4 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 46.4 tp -112.84 136.93 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 520' ' ' ASP . 77.7 p -121.14 -45.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 519' ' ' SER . 36.3 m-20 -35.35 -51.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 21.7 m -67.57 127.45 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -174.81 139.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.09 134.25 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 97.3 t -139.4 124.79 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.7 mtp -140.08 170.87 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 526' ' ' ASP . 0.2 OUTLIER -98.03 -51.83 3.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 91.8 p -142.93 158.05 43.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 129.96 143.28 5.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -79.31 165.29 23.55 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 55.7 p -83.54 43.92 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 86.6 p -44.29 146.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.534 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 67.8 m -96.42 97.01 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.3 t -96.07 97.15 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 48.72 -126.62 17.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 68.9 m -139.0 122.83 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 425' ' ' GLY . 1.8 t -125.46 107.61 10.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 424' ' ' SER . . . 34.55 -127.62 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.2 t -143.83 177.32 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.927 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.468 ' NE ' ' HG3' ' A' ' 480' ' ' GLU . 8.8 mtt85 -79.51 -32.75 42.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.535 ' HD3' HD21 ' A' ' 476' ' ' LEU . 23.0 ttpt -59.32 137.84 57.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.52 ' CG1' HG23 ' A' ' 513' ' ' ILE . 53.8 t -126.17 138.18 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -98.34 111.3 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 513' ' ' ILE . 49.1 t -108.64 119.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.09 154.74 16.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 79.78 43.16 10.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.98 142.6 41.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.643 ' O ' HG22 ' A' ' 438' ' ' ILE . 76.3 Cg_exo -47.93 144.98 10.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.707 2.272 . . . . 0.0 112.403 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.97 0.69 9.83 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -134.02 36.63 3.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 435' ' ' PRO . 17.3 tt -115.65 135.49 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.97 172.89 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 441' ' ' ASP . 19.7 tt0 -52.92 -70.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.7 m-20 -35.81 -54.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -44.99 -57.4 3.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.421 ' HB ' HG21 ' A' ' 455' ' ' VAL . 64.0 mt -49.29 -44.03 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 26.6 m -55.89 -55.14 36.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.62 62.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 58.1 m -57.81 -32.16 67.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.559 ' O ' HD22 ' A' ' 453' ' ' LEU . 86.7 m-85 -121.9 35.23 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 451' ' ' GLY . 13.8 tpt180 -98.87 -43.6 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 3.4 ptp180 -39.0 -44.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 486' ' ' LEU . 92.5 m-85 -60.73 -41.34 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 164.95 -170.6 40.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.14 120.93 5.89 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -139.52 -177.71 5.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.4 p -140.74 134.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.546 HG12 ' CE3' ' A' ' 457' ' ' TRP . 19.2 t -89.53 113.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -128.45 103.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 7.8 p90 -99.43 155.81 36.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.98 155.55 52.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.228 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 64.45 31.99 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 457' ' ' TRP . 30.6 tptt -79.2 -47.69 15.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -44.26 -64.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.34 -47.36 81.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 18.2 t -69.46 81.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 465' ' ' SER . 0.0 OUTLIER -58.38 -29.67 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.403 ' N ' ' HD2' ' A' ' 464' ' ' LYS . 36.8 m -63.36 139.49 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -81.97 42.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.58 116.32 22.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -44.42 169.18 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.56 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 61.7 Cg_endo -77.05 179.9 6.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 1.5 mptp? -33.84 -55.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . 175.26 72.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 15.7 p90 -174.75 121.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -144.97 172.13 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.4 128.42 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 431' ' ' VAL . 33.1 mt -103.62 126.45 50.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.535 HD21 ' HD3' ' A' ' 428' ' ' LYS . 57.7 mt -109.0 84.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -58.94 126.56 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -44.83 -63.24 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -98.95 161.61 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.468 ' HG3' ' NE ' ' A' ' 427' ' ' ARG . 30.2 mt-10 -76.48 -45.77 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 480' ' ' GLU . 2.4 m -35.23 -53.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 24.9 p -44.04 -48.72 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 91.8 t -42.57 -48.27 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.1 -53.18 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -53.26 -39.2 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 450' ' ' PHE . 14.4 tp -63.1 -54.74 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.775 HG23 HD11 ' A' ' 497' ' ' LEU . 47.9 mt -51.24 -57.53 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -46.25 -38.82 9.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.87 57.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 79.2 m -66.82 113.05 4.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.13 -177.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -145.15 142.28 29.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -121.35 -73.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -126.65 70.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.41 -29.5 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -99.08 156.98 16.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.775 HD11 HG23 ' A' ' 487' ' ' ILE . 16.7 mt -95.59 172.88 7.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 97.7 m-85 -160.9 119.17 2.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' ' 447' ' ' PHE . 26.8 tp -109.71 142.9 40.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 60.7 m -95.43 126.0 40.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 501' ' ' VAL . 34.2 m -120.97 120.55 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . 0.423 ' HB3' ' CG ' ' A' ' 508' ' ' ASP . 61.2 p -97.62 125.84 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 18.5 p -122.65 144.23 41.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.73 -19.78 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 29.9 p -103.94 -57.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.1 143.99 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -72.35 171.07 12.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 502' ' ' SER . 6.0 m-20 -43.07 101.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -100.02 132.61 22.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.18 84.92 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.9 m -76.86 142.04 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -80.36 114.43 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 431' ' ' VAL . 43.0 mm -101.01 107.0 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -123.02 93.9 47.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 90.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -52.31 122.43 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -121.85 176.66 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.73 HD23 ' H ' ' A' ' 518' ' ' LEU . 1.1 pt? -96.74 -29.47 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.1 t -174.76 162.56 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -132.15 -50.68 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 88.3 p -70.28 129.49 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -174.71 141.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -106.88 142.67 36.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.7 151.69 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 30.6 mtm -77.3 84.01 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -39.35 -49.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.3 p -45.41 135.24 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 179.07 168.71 38.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.94 149.78 29.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.296 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.9 t -153.35 169.96 21.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 52.5 m -124.94 -54.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.538 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 56.3 p -139.62 125.88 20.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 1.6 t -163.35 160.88 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 69.14 93.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 20.0 m -112.19 162.78 15.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 29.7 t -145.74 140.57 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -120.4 -126.26 3.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m -88.76 140.39 29.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.892 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 427' ' ' ARG . 29.3 mtm105 -45.61 -30.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.5 ' HE3' ' CD1' ' A' ' 474' ' ' PHE . 18.3 tttp -57.15 137.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.25 130.71 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -86.98 138.09 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.426 HG22 HD13 ' A' ' 513' ' ' ILE . 12.2 t -134.54 122.9 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -131.81 116.95 1.98 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 129.5 20.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.08 143.7 84.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 438' ' ' ILE . 71.7 Cg_exo -46.09 150.71 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.748 2.299 . . . . 0.0 112.304 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -78.81 -1.49 11.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.377 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.34 39.29 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 435' ' ' PRO . 15.2 tt -111.44 133.69 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -91.75 -174.99 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 441' ' ' ASP . 41.4 tt0 -62.78 -66.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 444' ' ' THR . 0.3 OUTLIER -37.97 -65.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 441' ' ' ASP . 25.4 mt-10 -35.1 -56.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 73.9 mt -48.08 -43.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.46 HG22 ' HG2' ' A' ' 448' ' ' ARG . 4.0 m -62.36 -56.88 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.2 -39.27 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 13.3 m -62.38 -27.65 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.675 ' O ' HD22 ' A' ' 453' ' ' LEU . 92.4 m-85 -121.52 31.31 6.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.46 ' HG2' HG22 ' A' ' 444' ' ' THR . 3.7 mmm180 -93.08 -45.24 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -39.16 -46.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -60.76 -42.47 97.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 166.11 -174.73 41.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.46 118.23 4.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.5 pt? -135.03 176.8 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.1 p -134.05 134.17 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.4 t -90.36 141.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.1 114.0 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.543 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 3.2 p90 -100.04 159.64 29.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.559 0.695 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.79 -65.23 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -87.56 66.18 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 457' ' ' TRP . 36.0 tttm -108.71 -49.24 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.31 8.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 463' ' ' SER . 1.1 mp0 -65.19 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 462' ' ' GLU . 89.6 p -34.62 150.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -107.44 -59.36 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 87.9 p -53.87 163.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -96.22 36.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -116.76 92.99 39.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.99 167.78 0.04 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.3 Cg_exo -45.85 176.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -41.87 -55.77 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -174.2 70.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 36.0 p90 -174.65 132.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -154.87 179.06 9.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.5 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 51.5 m-85 -122.36 147.61 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.496 ' HB3' HD12 ' A' ' 453' ' ' LEU . 56.8 mt -122.18 130.64 53.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 41.2 mt -114.18 87.51 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.81 127.8 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -41.8 -61.01 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -101.38 161.14 13.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.45 -44.39 35.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -39.79 -51.78 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 12.0 p -46.7 -51.8 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.28 -48.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -57.77 -60.09 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -44.22 -37.15 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.4 -59.32 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.517 HG23 HD11 ' A' ' 497' ' ' LEU . 87.7 mt -42.22 -53.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -55.78 -40.06 72.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.67 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.29 117.05 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.21 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -143.99 140.79 29.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -122.72 -74.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.33 70.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.56 -26.09 4.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 514' ' ' ARG . 41.4 mttt -102.65 157.61 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 487' ' ' ILE . 14.2 mt -99.32 164.01 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -155.48 116.49 3.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 511' ' ' VAL . 16.0 tp -105.97 128.08 53.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 3.9 m -80.75 121.86 26.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.3 m -115.59 122.72 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 41.6 p -91.48 155.09 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 506' ' ' ILE . 14.8 m -147.62 156.09 45.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -45.02 -40.57 15.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 30.7 p -96.68 -54.29 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 503' ' ' SER . 49.1 mm -91.13 145.47 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.13 173.68 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 10.0 p-10 -34.3 110.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -125.92 109.58 24.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -49.58 129.4 23.32 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 499' ' ' LEU . 2.5 m -119.33 134.48 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -65.56 101.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.426 HD13 HG22 ' A' ' 431' ' ' VAL . 12.1 mm -97.96 111.59 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 516' ' ' TRP . 26.0 mmm180 -126.29 93.14 43.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 516' ' ' TRP . 72.5 Cg_exo -47.12 84.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.486 ' N ' ' O ' ' A' ' 514' ' ' ARG . 70.8 t-105 -34.67 102.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -99.47 114.5 27.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 18.7 tp -142.94 152.98 42.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.8 t -114.93 117.0 29.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.32 -44.26 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 3.8 t -80.42 174.95 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.05 131.2 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -41.31 144.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 93.9 t -116.23 126.41 73.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 3.1 ttt -83.95 90.03 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -127.11 158.54 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 529' ' ' PRO . 3.6 m -60.19 154.23 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -105.17 97.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 527' ' ' SER . 60.8 Cg_endo -74.83 99.22 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 88.3 p -50.38 154.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 31.2 t -48.46 125.19 9.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.445 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.4 t 63.66 42.7 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.7 m -130.4 129.72 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 164.81 179.02 38.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 92.4 p -119.32 98.83 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 52.8 m -123.42 90.46 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . 101.66 84.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.522 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m -43.3 160.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.413 ' HA ' HG21 ' A' ' 483' ' ' VAL . 51.8 mtm180 -83.73 -12.34 55.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 476' ' ' LEU . 14.3 tptm -78.4 109.71 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 513' ' ' ILE . 74.3 t -113.93 128.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -91.4 137.33 32.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 5.5 t -128.45 131.28 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -128.56 149.71 18.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.62 59.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.76 143.57 90.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.704 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.34 147.67 5.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.05 0.79 9.72 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -132.71 34.7 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 435' ' ' PRO . 21.2 tt -112.28 128.86 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.68 173.14 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.0 tt0 -46.16 -69.47 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 440' ' ' GLU . 43.2 t0 -34.22 -64.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.476 ' CB ' HG13 ' A' ' 438' ' ' ILE . 5.5 mm-40 -35.67 -59.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.06 -47.4 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 448' ' ' ARG . 6.7 m -55.15 -59.57 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -57.22 -26.51 60.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 62.5 m -73.1 -27.3 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.0 13.46 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 444' ' ' THR . 15.5 tpt180 -80.3 -31.58 38.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -55.1 -14.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 486' ' ' LEU . 75.5 m-85 -93.93 -24.61 17.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 142.97 159.56 8.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.76 118.22 2.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.89 -178.07 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 476' ' ' LEU . 6.3 p -141.75 142.89 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 5.7 t -99.71 141.37 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.7 112.6 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 2.3 p90 -100.18 159.02 30.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.54 -65.31 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' A' ' 459' ' ' HIS . 23.2 p80 -97.76 83.69 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 457' ' ' TRP . 6.9 ptmt -118.9 -38.78 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -84.82 -47.86 9.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.34 -47.81 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.6 m -54.29 162.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 23.65 11.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 16.7 m -142.39 157.76 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.456 ' O ' ' C ' ' A' ' 467' ' ' PHE . 2.3 p90 -81.22 -52.48 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 466' ' ' TYR . 19.7 m-85 -33.29 96.38 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.66 0.743 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 466' ' ' TYR . 71.3 Cg_exo -45.42 171.0 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.481 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 72.0 Cg_exo -45.82 177.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -48.28 -49.0 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -177.59 57.82 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 20.8 p90 -164.85 124.56 1.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.916 0.389 . . . . 0.0 110.914 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -146.38 170.18 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.496 ' CD2' ' HE2' ' A' ' 428' ' ' LYS . 27.8 m-85 -118.05 146.37 44.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 38.5 mt -117.5 143.85 45.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.609 ' HB2' HG13 ' A' ' 454' ' ' VAL . 35.2 mt -128.87 87.87 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 482' ' ' SER . 88.0 m-85 -63.96 139.78 58.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -63.26 -51.16 67.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 480' ' ' GLU . 17.9 mt-10 -103.58 114.37 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 479' ' ' GLU . 19.3 mt-10 -36.95 -40.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 4.7 t -44.35 -53.57 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.54 ' HB3' ' CD1' ' A' ' 477' ' ' PHE . 3.9 m -38.05 -51.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 427' ' ' ARG . 98.7 t -41.26 -55.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -50.76 -59.99 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.73 -37.99 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 450' ' ' PHE . 13.0 tp -65.32 -62.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' A' ' 497' ' ' LEU . 90.9 mt -39.92 -51.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.88 -47.87 67.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.48 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 39.8 m -50.04 116.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 498' ' ' TYR . 18.3 mt -54.16 172.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -121.09 124.13 44.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -133.55 86.7 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.1 t70 70.52 43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.49 -38.8 3.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -68.91 163.64 23.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 487' ' ' ILE . 82.1 mt -116.5 145.13 43.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 491' ' ' LEU . 96.9 m-85 -148.45 128.72 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 510' ' ' PRO . 32.6 tp -111.62 135.58 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 4.6 p -81.58 118.52 22.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.01 105.42 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 42.5 p -96.61 129.38 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 67.0 m -109.21 155.66 40.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.73 -21.49 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 6.7 p -109.1 -54.88 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.69 141.1 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -77.09 165.23 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.479 ' N ' ' HD3' ' A' ' 507' ' ' LYS . 1.8 m-20 -33.73 111.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -124.68 106.24 29.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 53.7 Cg_exo -54.08 134.3 59.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.31 137.48 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.41 114.25 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.503 HG23 ' CG1' ' A' ' 429' ' ' VAL . 46.1 mm -105.65 97.03 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -109.25 95.22 17.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.93 90.75 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -43.16 149.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 50.39 53.22 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 17.3 tp -88.85 107.16 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 22.0 t -70.04 169.81 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.57 172.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 33.4 t -171.0 139.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -166.48 137.99 3.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -147.16 176.62 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 13.2 p -147.79 130.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 21.5 ptp -103.13 146.82 27.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -113.08 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 48.9 p -125.19 -42.27 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 65.05 -146.36 50.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -76.54 145.42 26.35 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 64.1 p -134.73 176.2 8.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 23.0 m -159.15 123.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 11.0 m -113.85 106.87 14.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 4.8 t -166.17 169.07 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -69.96 -54.13 12.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 22.9 t 54.37 41.46 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.814 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 25.6 p 38.84 44.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -59.37 -171.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 1.4 t -47.71 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 429' ' ' VAL . 12.8 mtt85 -73.99 -40.19 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.626 ' HA ' HD23 ' A' ' 476' ' ' LEU . 19.6 tttp -49.49 144.45 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.421 ' CG1' HG23 ' A' ' 513' ' ' ILE . 64.7 t -138.73 131.59 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -89.47 129.46 35.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 13.1 t -125.97 121.2 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -125.42 119.71 3.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.439 ' C ' HG12 ' A' ' 511' ' ' VAL . . . 125.17 27.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.453 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.63 142.37 66.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.3 Cg_exo -47.44 151.14 3.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.18 -1.13 11.32 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -134.99 40.02 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.1 tt -111.83 137.53 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -102.09 171.14 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 441' ' ' ASP . 67.1 tt0 -47.85 -69.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 440' ' ' GLU . 14.0 t0 -35.44 -59.84 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -42.71 -58.58 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 58.1 mt -48.42 -39.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 25.5 m -60.8 -55.34 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.37 -42.87 53.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 1.9 m -57.12 -32.56 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.668 ' O ' HD22 ' A' ' 453' ' ' LEU . 91.9 m-85 -119.99 31.36 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -96.56 -40.02 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 449' ' ' ARG . 4.3 ptm85 -45.26 -34.32 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.2 m-85 -70.98 -42.32 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 167.31 -171.49 42.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.51 110.18 3.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.4 pt? -128.04 -177.42 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 7.6 p -142.91 136.23 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.467 HG12 ' CE3' ' A' ' 457' ' ' TRP . 17.2 t -92.54 132.08 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -146.68 112.86 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 469' ' ' PRO . 1.4 p90 -100.63 158.88 31.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.13 -66.1 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.25 90.45 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -119.06 -41.58 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -82.78 -42.51 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.08 -48.43 76.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 66.3 m -63.94 137.98 58.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -93.25 42.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 5.4 m -155.42 148.53 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -90.07 36.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -115.34 94.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.709 0.766 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.34 166.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 71.1 Cg_exo -45.08 170.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -47.68 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -178.45 64.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 26.7 p90 -174.22 133.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -150.38 178.08 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.468 ' CG ' ' HE3' ' A' ' 428' ' ' LYS . 87.7 m-85 -121.95 127.09 49.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.406 ' O ' HD23 ' A' ' 476' ' ' LEU . 83.5 mt -99.25 144.27 28.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 428' ' ' LYS . 46.1 mt -130.45 96.14 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.526 ' CE1' HD22 ' A' ' 486' ' ' LEU . 90.9 m-85 -73.84 131.36 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -60.88 -56.03 26.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 480' ' ' GLU . 32.1 mt-10 -90.34 113.67 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 481' ' ' SER . 35.2 mt-10 -37.71 -47.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 482' ' ' SER . 14.9 m -36.18 -58.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 481' ' ' SER . 19.7 m -34.53 -50.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 427' ' ' ARG . 90.0 t -43.24 -58.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -54.37 -60.77 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.38 -39.02 9.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 16.7 tp -64.79 -57.21 9.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.539 HG23 HD11 ' A' ' 497' ' ' LEU . 54.0 mt -48.35 -59.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.56 -43.36 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.48 80.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.42 115.93 6.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.7 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -143.88 138.89 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -117.52 -73.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -126.85 69.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 82.36 -27.4 3.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.44 155.46 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.539 HD11 HG23 ' A' ' 487' ' ' ILE . 32.7 mt -92.5 169.13 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.95 116.19 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 511' ' ' VAL . 18.8 tp -111.32 137.24 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 29.9 p -84.62 132.47 34.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 501' ' ' VAL . 23.9 m -130.74 114.52 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 81.5 p -87.21 130.15 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.1 t -120.95 147.34 46.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.48 -22.93 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -112.03 -53.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.27 143.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.27 172.7 13.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.05 108.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -106.05 129.65 24.23 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -77.94 84.41 2.0 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 499' ' ' LEU . 24.8 m -78.51 140.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -79.75 111.92 16.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.421 HG23 ' CG1' ' A' ' 429' ' ' VAL . 19.0 mm -100.56 114.8 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -120.23 90.48 44.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.652 0.739 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.7 108.35 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -48.77 118.28 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -115.9 77.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 7.2 tp -155.99 118.57 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.1 t -126.41 152.21 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.32 -47.86 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 42.4 t -46.71 146.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -114.93 101.44 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -41.51 124.94 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.17 137.59 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -59.75 133.89 56.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.1 -45.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 82.4 p -171.6 108.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -110.07 95.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.71 168.45 24.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.274 . . . . 0.0 112.331 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.1 t -172.82 147.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 88.0 p -100.84 147.64 25.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 15.6 t -131.67 113.2 13.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 66.7 p -129.57 106.57 8.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -128.03 -87.01 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 61.3 m -120.77 148.28 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 46.7 t -48.68 157.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -93.48 -151.69 28.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 3.4 m -83.83 178.86 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 429' ' ' VAL . 87.7 mtm-85 -77.87 -52.67 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.688 ' CG ' HD21 ' A' ' 476' ' ' LEU . 67.4 mttt -45.32 142.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 427' ' ' ARG . 48.5 t -137.25 117.48 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -80.48 109.38 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.07 126.28 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -130.42 130.86 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 118.65 12.54 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.56 143.94 98.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.2 Cg_exo -47.25 147.05 6.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.81 0.97 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.757 2.305 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -131.86 33.11 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 435' ' ' PRO . 19.0 tt -110.17 151.24 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.93 178.98 4.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 441' ' ' ASP . 9.3 tt0 -52.94 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 440' ' ' GLU . 20.4 t70 -34.13 -65.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 441' ' ' ASP . 13.3 mt-10 -35.17 -54.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.23 -60.03 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 448' ' ' ARG . 83.8 m -45.51 -45.87 13.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.14 -39.39 82.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 2.1 m -65.16 -24.59 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -122.06 19.83 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 444' ' ' THR . 7.0 tpt180 -86.89 -31.59 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.566 ' HD2' ' CD1' ' A' ' 450' ' ' PHE . 0.1 OUTLIER -48.56 -33.9 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 449' ' ' ARG . 84.8 m-85 -73.86 -31.66 63.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 153.35 -168.65 32.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.37 125.25 8.96 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.84 174.39 11.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 476' ' ' LEU . 12.8 p -137.06 129.82 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.767 HG13 HD23 ' A' ' 475' ' ' LEU . 3.1 t -91.31 149.14 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -155.58 112.26 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CE2' ' CG ' ' A' ' 460' ' ' LYS . 3.5 p90 -99.22 158.34 32.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.539 0.685 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.8 -53.6 4.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.79 72.77 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.581 ' CG ' ' CE2' ' A' ' 457' ' ' TRP . 11.1 tmtt? -125.2 -54.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.38 94.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.11 -47.51 15.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 5.5 m -82.06 122.33 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 464' ' ' LYS . 2.2 mppt? -76.18 -41.37 49.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 464' ' ' LYS . 6.6 t -36.88 133.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.816 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -89.24 44.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -133.19 95.77 18.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.688 0.756 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.31 161.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.517 ' HD3' ' CD1' ' A' ' 457' ' ' TRP . 76.7 Cg_exo -49.3 178.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -39.34 -66.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.48 66.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -171.43 130.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.909 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -152.34 172.99 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -118.1 119.59 35.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.767 HD23 HG13 ' A' ' 455' ' ' VAL . 21.2 mt -93.83 142.51 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.688 HD21 ' CG ' ' A' ' 428' ' ' LYS . 23.6 mt -126.45 97.97 5.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -71.98 126.41 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -49.23 -61.07 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.33 123.19 38.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -44.88 -46.71 11.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.0 p -39.01 -45.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.1 t -45.83 -51.88 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.96 -50.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -54.08 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -42.95 -45.56 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.559 HD11 HD22 ' A' ' 499' ' ' LEU . 33.1 tp -58.14 -59.2 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.426 HG23 ' CD1' ' A' ' 497' ' ' LEU . 74.6 mt -46.72 -52.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -51.93 -44.91 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.22 73.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 499' ' ' LEU . 38.3 m -57.22 136.03 56.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.36 163.51 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.76 119.67 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -131.53 87.28 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 6.9 t70 69.45 43.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 88.52 -38.8 3.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -73.49 139.18 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 487' ' ' ILE . 55.2 mt -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -146.02 128.99 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.81 150.16 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.2 p -97.82 131.53 44.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.6 m -139.45 106.48 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.1 t -87.93 146.72 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 8.2 m -127.59 159.23 67.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.27 -21.5 1.21 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 22.7 p -114.16 -63.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 507' ' ' LYS . 17.8 mm -78.21 150.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 506' ' ' ILE . 34.6 mmtt -86.12 172.1 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.2 p-10 -38.19 104.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 126.84 33.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 63.1 Cg_endo -78.17 74.99 5.08 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 16.0 m -61.54 152.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -88.45 103.44 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 41.5 mm -89.11 111.45 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -122.69 92.99 48.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -46.06 141.53 9.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 35.3 t-105 -63.11 138.53 58.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.72 129.5 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 6.8 tp -112.12 -49.68 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.8 t -112.96 141.36 46.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.06 40.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 90.6 p -150.54 152.11 33.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.05 22.26 12.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -47.27 147.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 5.8 p -165.42 133.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.5 ptm -130.77 62.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 527' ' ' SER . 16.2 t0 -124.27 135.71 53.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 526' ' ' ASP . 3.8 m -34.51 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 170.7 139.68 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.54 151.55 3.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.4 m -151.97 157.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 83.0 p -156.71 152.68 27.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 73.2 m -133.61 150.18 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -153.82 162.15 41.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -68.71 123.6 16.21 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 14.5 m -125.92 -51.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 72.0 m -136.39 113.91 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 426' ' ' SER . . . -142.45 115.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 425' ' ' GLY . 40.6 p -36.51 134.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.816 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -91.73 -46.16 8.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 516' ' ' TRP . 3.1 ttmp? -65.18 131.81 47.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 513' ' ' ILE . 84.9 t -121.75 132.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -93.99 105.28 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.766 HG22 HD12 ' A' ' 513' ' ' ILE . 46.7 t -105.2 121.22 56.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.71 150.15 18.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.4 ' O ' HG12 ' A' ' 511' ' ' VAL . . . 87.5 37.07 8.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.7 142.05 45.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.675 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.0 Cg_exo -47.8 141.68 15.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.99 3.8 7.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -132.96 30.81 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 435' ' ' PRO . 20.0 tt -110.53 138.61 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 440' ' ' GLU . 6.8 t70 -100.83 169.48 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 439' ' ' ASP . 38.0 tt0 -48.13 -70.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 440' ' ' GLU . 40.2 t0 -34.25 -52.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' CB ' HG13 ' A' ' 438' ' ' ILE . 22.1 mm-40 -49.14 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 63.6 mt -42.25 -48.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 448' ' ' ARG . 2.5 m -54.1 -57.64 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -48.45 -38.3 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 27.4 m -61.24 -28.42 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -121.56 28.82 7.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.407 ' HG2' HG22 ' A' ' 444' ' ' THR . 1.3 mmm180 -91.02 -30.07 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -63.37 -10.32 16.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 486' ' ' LEU . 69.4 m-85 -96.28 -30.31 13.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . . . . . . . . . . . 151.61 -171.85 31.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 124.53 8.18 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.733 2.289 . . . . 0.0 112.314 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 475' ' ' LEU . 2.6 pt? -146.96 179.52 7.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 9.2 p -141.54 138.45 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.43 HG12 ' CE3' ' A' ' 457' ' ' TRP . 12.1 t -91.81 139.52 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -155.21 108.05 2.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 460' ' ' LYS . 3.9 p90 -100.15 156.93 34.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.8 -0.29 6.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -123.47 36.35 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 457' ' ' TRP . 0.0 OUTLIER -86.91 -64.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -55.29 -56.5 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -49.24 -57.24 7.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 42.4 t -84.0 98.52 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -41.07 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 67.6 m -55.23 160.34 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -89.35 30.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -103.08 142.16 23.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.15 169.28 19.32 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 472' ' ' TYR . 58.3 Cg_endo -71.51 -179.17 3.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 36.5 mtmt -33.73 -60.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -176.13 72.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 469' ' ' PRO . 5.8 p90 -174.97 130.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.381 . . . . 0.0 110.926 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -148.65 163.39 37.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -114.65 123.89 50.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 453' ' ' LEU . 31.2 mt -103.89 115.34 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 428' ' ' LYS . 86.7 mt -96.53 95.32 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -73.98 115.72 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -50.19 -49.08 53.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 115.44 28.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.28 -42.03 39.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 482' ' ' SER . 8.3 t -55.34 -52.58 63.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 481' ' ' SER . 3.7 t -36.26 -42.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.82 -61.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -40.98 -49.14 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -50.92 -47.13 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 450' ' ' PHE . 12.7 tp -52.29 -58.37 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 497' ' ' LEU . 82.9 mt -44.97 -45.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.94 -50.48 61.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.39 74.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 71.5 m -48.28 120.56 3.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.64 161.81 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -114.97 121.66 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -134.33 97.05 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 2.0 t70 64.64 40.4 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 90.46 -38.55 3.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -67.83 168.12 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.536 ' CD1' HG23 ' A' ' 487' ' ' ILE . 97.9 mt -120.85 154.06 36.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.433 ' CE2' ' HG3' ' A' ' 512' ' ' GLN . 96.5 m-85 -154.31 136.55 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 15.0 tp -119.95 138.4 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.11 129.93 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 501' ' ' VAL . 27.9 m -136.83 112.0 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.56 137.42 35.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 23.6 p -116.51 155.34 48.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 -20.29 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.722 2.281 . . . . 0.0 112.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.5 p -111.12 -58.06 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 507' ' ' LYS . 40.1 mm -82.79 154.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 508' ' ' ASP . 9.5 mmtm -90.56 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 507' ' ' LYS . 13.2 m-20 -34.21 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -109.4 113.89 57.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.1 93.5 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 433' ' ' GLY . 16.8 m -79.69 161.94 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . 0.433 ' HG3' ' CE2' ' A' ' 498' ' ' TYR . 47.1 tt0 -97.94 99.23 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.766 HD12 HG22 ' A' ' 431' ' ' VAL . 29.1 mm -81.95 123.4 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -130.18 90.37 42.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 517' ' ' ASN . 74.0 Cg_exo -48.19 92.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 48.9 t-105 -44.15 92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 515' ' ' PRO . 0.9 OUTLIER -92.85 121.82 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 518' ' ' LEU . 2.2 pp -98.35 -14.05 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.4 m -153.02 123.63 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -84.82 40.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 92.7 p -57.94 177.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -164.88 130.72 2.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.0 145.14 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 13.1 p -146.36 137.82 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 23.2 ttp -122.76 124.56 43.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -96.34 121.47 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.8 m -150.21 130.14 13.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . -83.46 -162.56 33.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.0 131.36 11.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 71.0 m -146.78 171.07 15.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 532' ' ' GLY . 57.2 p -125.59 115.21 19.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.869 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 531' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 40.8 t -90.82 -51.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 89.9 p -56.63 -43.31 80.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . 141.61 92.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 74.8 m -125.84 82.06 2.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -67.53 171.75 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -157.24 161.86 31.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 30.3 m -45.72 164.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.657 ' HA ' HG21 ' A' ' 483' ' ' VAL . 49.5 mtm180 -82.44 -62.18 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.505 ' HE3' ' CD1' ' A' ' 516' ' ' TRP . 13.3 ttpt -41.95 124.86 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.735 ' CG1' HG23 ' A' ' 513' ' ' ILE . 66.5 t -116.4 141.14 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -101.42 106.83 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 513' ' ' ILE . 18.3 t -106.4 117.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -116.91 128.88 8.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 111.79 35.0 1.93 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 55.6 mt -82.53 142.22 46.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.562 ' O ' HG22 ' A' ' 438' ' ' ILE . 73.3 Cg_exo -46.59 148.47 3.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.56 -0.41 10.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -132.75 36.6 3.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 435' ' ' PRO . 18.5 tt -110.82 139.74 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -104.39 -178.14 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 441' ' ' ASP . 13.7 tt0 -55.56 -68.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 440' ' ' GLU . 5.3 m-20 -36.38 -64.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 441' ' ' ASP . 15.8 mt-10 -35.91 -62.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . 0.408 ' CG2' HD21 ' A' ' 475' ' ' LEU . 64.2 mt -45.38 -46.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 448' ' ' ARG . 7.1 m -53.58 -60.51 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -49.82 -39.78 39.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -32.26 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . 0.58 ' O ' HD22 ' A' ' 453' ' ' LEU . 87.6 m-85 -122.31 27.03 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 444' ' ' THR . 12.0 tpt180 -91.44 -44.85 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -39.9 -49.57 2.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.538 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 84.3 m-85 -53.89 -40.34 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 158.6 156.32 7.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.79 122.78 4.36 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 447' ' ' PHE . 2.6 pt? -140.57 -175.69 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 10.9 p -140.28 132.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 6.6 t -88.22 129.26 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -146.04 108.18 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 460' ' ' LYS . 4.2 p90 -100.14 156.62 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.509 0.671 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.94 -23.41 22.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . 0.458 ' CE1' ' OH ' ' A' ' 472' ' ' TYR . 12.0 m170 -98.1 50.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 457' ' ' TRP . 27.4 tptt -104.58 -54.26 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -54.36 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -43.34 -60.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . . . . . . . . . 3.8 t -67.8 116.44 8.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 68.41 10.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 2.8 t -167.69 160.31 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -87.66 40.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -122.19 141.57 34.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.482 ' CG ' ' O ' ' A' ' 438' ' ' ILE . 62.6 Cg_endo -79.65 169.36 18.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 472' ' ' TYR . 58.6 Cg_endo -71.92 179.66 4.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.748 2.299 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 469' ' ' PRO . 13.0 mptt -33.87 -65.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -169.06 72.18 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 469' ' ' PRO . 37.4 p90 -174.58 121.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -145.23 169.52 18.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -115.78 121.16 41.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 431' ' ' VAL . 23.5 mt -99.71 121.89 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 454' ' ' VAL . 31.2 mt -103.12 90.39 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 486' ' ' LEU . 69.9 m-85 -67.62 98.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 477' ' ' PHE . 16.2 tt0 -35.19 -56.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -89.17 108.29 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.12 -43.86 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 11.4 t -38.94 -53.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.3 m -44.06 -53.34 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 427' ' ' ARG . 72.3 t -38.27 -59.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -48.18 -63.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -43.54 -49.2 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.538 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 25.2 tp -53.8 -57.79 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 69.8 mt -48.32 -55.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -46.1 -44.66 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.35 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 499' ' ' LEU . 65.8 m -62.19 104.77 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.3 162.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -126.9 140.07 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -117.13 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.97 69.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 85.14 -26.26 5.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -101.62 155.25 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 14.2 mt -101.25 174.95 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 89.8 m-85 -160.17 125.31 3.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 486' ' ' LEU . 18.9 tp -115.51 147.58 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 509' ' ' LYS . 26.3 p -96.49 131.8 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 501' ' ' VAL . 20.9 m -138.86 121.17 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 22.6 t -101.72 139.66 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.3 p -129.44 164.17 41.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.705 0.764 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -23.37 6.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 17.1 p -113.09 -69.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.554 HG21 ' HG3' ' A' ' 509' ' ' LYS . 37.8 mm -74.9 146.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 508' ' ' ASP . 16.3 mmtm -88.62 169.02 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 507' ' ' LYS . 8.9 m-20 -34.4 108.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . 0.554 ' HG3' HG21 ' A' ' 506' ' ' ILE . 9.2 mmmt -106.87 132.32 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 499' ' ' LEU . 60.7 Cg_endo -78.9 61.88 8.25 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.89 141.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.59 119.05 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.735 HG23 ' CG1' ' A' ' 429' ' ' VAL . 26.3 mm -105.0 107.58 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 516' ' ' TRP . 37.6 ttp180 -120.33 94.45 48.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -44.76 90.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.505 ' CD1' ' HE3' ' A' ' 428' ' ' LYS . 58.0 t-105 -49.16 108.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -115.75 106.41 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 16.5 mt -54.1 -45.53 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 6.3 t -138.92 147.41 42.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.72 46.45 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 29.1 p -84.86 41.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.72 21.62 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -88.56 141.99 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 89.9 t -135.56 126.25 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 30.1 ttp -120.56 156.78 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.95 154.98 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 46.6 p -152.32 134.26 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 72.04 174.45 22.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.55 112.93 0.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 88.0 p -84.38 -49.35 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 25.1 t 47.46 42.15 13.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.7 t -88.46 122.5 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.899 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 84.2 p -121.6 109.2 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' GLY . . . . . . . . . . . . . . . -99.36 137.44 13.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 36.5 p -50.17 -52.58 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.5 m -51.17 -44.29 61.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' GLY . . . . . . . . . . . . . . . -97.35 95.42 1.7 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' SER . . . . . . . . . . . . . 2.1 m -103.85 164.74 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' ARG . . . . . 0.575 ' HA ' HG21 ' A' ' 483' ' ' VAL . 36.5 mtp180 -45.34 -38.62 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 476' ' ' LEU . 2.3 tppp? -56.92 131.24 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 427' ' ' ARG . 62.5 t -132.99 138.48 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -102.66 125.86 49.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' VAL . . . . . 0.545 HG22 ' CD1' ' A' ' 513' ' ' ILE . 48.2 t -121.53 123.68 70.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -120.52 155.32 16.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 82.37 42.08 8.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 46.4 mt -85.8 142.64 36.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 438' ' ' ILE . 74.5 Cg_exo -47.08 147.21 5.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -80.08 -0.57 10.77 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.83 39.32 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 435' ' ' PRO . 13.5 tt -116.06 128.78 73.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 442' ' ' GLU . 1.8 p-10 -93.15 177.75 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 441' ' ' ASP . 48.0 tt0 -54.31 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 440' ' ' GLU . 32.3 t0 -34.01 -52.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.479 ' CB ' HG13 ' A' ' 438' ' ' ILE . 6.8 mm-40 -47.28 -58.3 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' ILE . . . . . . . . . . . . . 67.4 mt -47.63 -51.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' THR . . . . . . . . . . . . . 10.8 m -47.55 -60.3 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -47.82 -42.6 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . . . . . . . . . 5.1 t -55.82 -37.4 68.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -120.0 33.56 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 451' ' ' GLY . 16.2 tpt180 -93.4 -45.48 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 450' ' ' PHE . 6.7 ptp180 -38.53 -45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 486' ' ' LEU . 79.9 m-85 -58.01 -42.83 86.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 448' ' ' ARG . . . 162.78 -166.38 36.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.81 126.97 9.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -147.72 -179.81 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 476' ' ' LEU . 8.4 p -137.52 140.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.465 HG12 ' CE3' ' A' ' 457' ' ' TRP . 21.8 t -97.86 133.05 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -151.54 112.13 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.478 ' CE2' ' HD2' ' A' ' 460' ' ' LYS . 3.4 p90 -99.16 144.59 28.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.92 131.8 13.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 62.33 41.54 10.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 457' ' ' TRP . 26.7 tttp -74.7 -52.91 10.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -48.25 -59.93 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 463' ' ' SER . 6.0 mm-40 -53.09 -53.5 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 462' ' ' GLU . 2.3 m -36.03 118.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -88.04 42.24 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 20.9 m -164.25 164.09 22.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -101.25 42.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -131.68 95.61 22.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.406 ' HA ' ' CD1' ' A' ' 457' ' ' TRP . 73.8 Cg_exo -44.48 170.13 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' PRO . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 472' ' ' TYR . 72.3 Cg_exo -46.69 178.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.52 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -179.16 67.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 469' ' ' PRO . 41.1 p90 -171.24 130.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.37 . . . . 0.0 110.938 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' ALA . . . . . . . . . . . . . . . -149.17 170.94 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.98 128.59 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 20.3 mt -103.29 146.65 28.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.444 ' CD2' ' HD3' ' A' ' 428' ' ' LYS . 34.1 mt -128.07 100.49 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -80.46 131.17 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -69.0 -55.77 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 480' ' ' GLU . 24.8 mt-10 -79.12 99.91 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 479' ' ' GLU . 35.8 mt-10 -35.31 -43.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 482' ' ' SER . 24.5 t -48.27 -57.7 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 481' ' ' SER . 8.5 t -33.99 -47.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.575 HG21 ' HA ' ' A' ' 427' ' ' ARG . 84.0 t -44.83 -56.81 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -53.32 -53.48 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.41 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 450' ' ' PHE . 18.5 tp -52.0 -54.76 25.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 67.1 mt -47.43 -51.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.46 -45.87 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.33 -47.06 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.069 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 42.2 m -58.18 163.37 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 32.7 mt -115.88 139.21 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.86 130.32 51.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -110.06 -71.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -122.6 50.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.69 18.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.09 153.18 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 498' ' ' TYR . 19.2 mt -94.17 171.23 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' TYR . . . . . 0.481 ' CG ' ' O ' ' A' ' 497' ' ' LEU . 44.5 m-85 -159.66 126.42 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 511' ' ' VAL . 23.5 tp -121.51 130.41 53.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' CYS . . . . . . . . . . . . . 88.8 m -77.72 136.86 38.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 501' ' ' VAL . 33.5 m -137.3 111.82 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 68.5 m -87.49 125.99 34.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 54.8 m -119.93 155.01 55.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.686 0.755 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 -21.0 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.674 2.249 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' THR . . . . . . . . . . . . . 46.9 p -120.9 -55.6 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 509' ' ' LYS . 37.9 mm -88.39 102.59 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 508' ' ' ASP . 15.5 mmtp -52.12 173.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 507' ' ' LYS . 20.7 p-10 -34.56 107.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' LYS . . . . . 0.481 ' HD2' ' CG2' ' A' ' 506' ' ' ILE . 0.2 OUTLIER -115.61 126.04 28.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.597 0.713 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.97 93.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 499' ' ' LEU . 15.8 m -83.86 141.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -74.8 111.65 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 431' ' ' VAL . 31.0 mm -99.77 104.32 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -117.71 94.01 44.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.63 90.44 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -74.94 151.39 38.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -118.52 97.11 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.24 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 41.6 t -125.69 129.37 49.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -64.65 162.51 15.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 7.3 t -119.27 162.73 18.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.03 130.21 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -93.04 152.14 19.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . . . . . . . . . 97.5 t -107.2 120.23 58.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.94 98.93 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.91 90.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.5 m 41.22 41.7 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . 112.43 140.11 7.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 109.49 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 15.5 m -82.59 147.8 28.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 75.1 m -116.74 174.25 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -179.961 . . . . . . . . 0 0 . 1 stop_ save_