data_2cpr_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 2cpr _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 ' 504' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 506' ' ' GLN . 95.3 mt-30 -55.14 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 505' ' ' GLN . 55.6 mt-30 -36.93 -46.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.01 -49.39 76.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 42.6 m -48.44 -51.56 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . 0.419 ' N ' ' HB3' ' A' ' 576' ' ' ALA . . . -62.45 -39.43 93.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.85 -47.41 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -68.35 -44.89 74.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.37 -45.69 69.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.73 -52.15 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . 0.583 ' CE1' ' NH2' ' A' ' 517' ' ' ARG . 6.3 t80 -47.74 -61.03 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.33 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.583 ' NH2' ' CE1' ' A' ' 514' ' ' PHE . 35.6 ttp180 -53.59 -45.29 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . 0.484 ' OD1' ' NE ' ' A' ' 522' ' ' ARG . 2.4 t70 -61.73 -53.85 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 6.1 tmmm? -49.34 -62.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 51.9 m -62.04 -39.33 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 517' ' ' ARG . . . -47.34 -51.0 20.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' A' ' 518' ' ' ASP . 1.2 mpp_? -68.27 -45.55 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -53.3 -43.56 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -80.74 1.81 28.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 25.0 t0 54.31 45.0 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -134.87 169.11 17.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.0 p -69.24 165.34 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -69.35 -56.22 8.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -48.1 -56.34 9.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -40.1 -48.02 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 93.3 t -56.88 -67.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.58 119.7 5.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.73 177.01 5.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -72.51 -59.37 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -45.62 -53.55 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.442 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.7 ttm -58.75 -56.9 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.3 ttm -44.62 -42.48 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.61 -60.39 2.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -38.6 -45.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 51.9 mt -67.05 -56.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.54 -30.9 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -80.63 -34.84 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.31 -46.54 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.481 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 51.5 mt 52.06 52.11 10.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.74 113.72 3.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.74 -26.34 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 3.2 mm-40 -101.85 157.22 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -20.78 34.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -64.33 -43.12 95.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.79 -26.08 38.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.8 mp -82.64 -30.0 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 558' ' ' VAL . 53.3 mt -76.83 -36.9 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.84 79.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.4 p -41.82 -36.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.4 p -102.56 151.96 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -165.89 106.96 0.73 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.0 15.78 Favored 'Cis proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.359 -0.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 552' ' ' ILE . 59.5 t -99.76 133.46 21.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.98 47.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.85 14.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 564' ' ' GLN . 86.4 mt -96.59 -73.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 561' ' ' LEU . 90.1 t -37.34 -36.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -77.12 -41.21 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 561' ' ' LEU . 10.5 tt0 -68.22 -53.36 25.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -94.56 24.77 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 7.3 tp -50.8 -43.38 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.32 -45.45 65.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.25 -53.23 58.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 52.4 mmm -51.35 -50.26 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.408 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.3 t-160 -51.97 -53.83 36.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 75.9 mt -48.55 -48.27 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.87 -53.36 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.96 -40.82 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.49 -32.2 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.99 -25.9 63.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . 0.419 ' HB3' ' N ' ' A' ' 509' ' ' ALA . . . -88.06 -26.89 22.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -87.52 -37.15 17.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -48.06 -42.5 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -49.21 -54.34 17.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -42.97 -43.5 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.11 -52.29 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 20.6 m -50.68 -38.85 49.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.547 ' CE1' ' HE1' ' A' ' 537' ' ' MET . 82.8 t80 -55.32 -43.6 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -60.29 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.18 -50.85 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 32.5 mt -59.7 -45.54 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.43 -43.6 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.97 12.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.458 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 26.7 t90 -49.04 -53.1 21.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.458 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 14.9 ttp180 -51.61 -68.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -54.05 -28.92 41.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -67.26 -67.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.438 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 33.8 m -54.62 -20.28 7.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.52 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.06 -53.14 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -50.32 -45.97 55.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -76.42 -21.35 56.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.97 48.31 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . 0.537 ' OE2' ' CD2' ' A' ' 530' ' ' TYR . 7.7 tt0 -135.99 171.44 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 t -59.19 154.52 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 529' ' ' GLY . 52.5 m-85 -63.82 -58.3 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -38.23 -56.06 1.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.537 ' CD2' ' OE2' ' A' ' 526' ' ' GLU . 6.2 t80 -45.29 -58.23 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.428 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 90.3 t -47.28 -63.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.9 tp -164.62 117.86 0.98 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.436 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.3 Cg_endo -69.77 177.85 5.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.9 -60.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -43.75 -47.36 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.436 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 52.8 ttm -66.09 -56.09 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' MET . . . . . 0.547 ' HE1' ' CE1' ' A' ' 510' ' ' PHE . 41.7 ttp -46.58 -47.6 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.99 -54.6 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -40.63 -51.7 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.44 -50.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -51.73 -36.22 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.85 -38.07 46.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -62.03 -41.7 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 33.5 mt 55.05 51.9 7.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.76 113.77 3.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 13.1 pttm -57.16 -42.88 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.28 160.3 37.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -18.85 36.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -70.07 -33.34 71.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.58 72.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.94 -33.22 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 558' ' ' VAL . 57.6 mt -75.86 -32.85 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.77 74.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.1 m -62.49 -61.42 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.11 119.73 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 556' ' ' ASN . 3.4 p30 -149.32 108.86 3.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 173.86 42.91 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 -0.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 552' ' ' ILE . 53.7 t -92.4 129.99 39.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . 0.474 ' HG2' ' CG2' ' A' ' 562' ' ' VAL . 53.8 Cg_endo -69.73 160.4 49.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.49 10.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 98.5 mt -102.51 -63.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 559' ' ' PRO . 86.1 t -44.62 -37.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -74.26 -40.05 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.63 -59.05 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -87.06 19.01 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 567' ' ' ASN . 7.4 tp -47.9 -47.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . 0.423 ' N ' ' CG2' ' A' ' 566' ' ' ILE . 12.1 m120 -48.06 -52.52 19.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.73 -55.15 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 44.4 mtp -48.11 -47.7 34.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.0 t-160 -54.88 -50.34 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.76 -47.18 64.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.52 -47.19 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.1 -37.39 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 8.3 mm-40 -69.54 -37.82 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.02 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 546' ' ' LYS . 75.0 mtp180 -72.43 -38.92 68.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.56 -46.07 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.3 ptm . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -65.26 -49.29 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -52.15 -45.0 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.59 -54.12 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 32.6 m -45.48 -54.76 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -55.71 -47.81 76.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.06 -51.58 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -59.22 -47.45 85.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.2 mt -53.67 -50.36 65.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.14 -43.52 98.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.01 -53.49 26.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.63 92.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.422 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 47.3 t90 -55.53 -58.63 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.422 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 22.5 ttp180 -53.77 -53.21 55.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -53.23 -42.25 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -64.39 -59.79 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 18.6 m -55.61 -34.92 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -41.92 -53.81 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -72.1 -40.8 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -52.27 -44.74 65.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 525' ' ' ASP . 81.4 mm-40 -100.84 21.3 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 524' ' ' GLU . 43.5 m-20 34.81 43.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . 0.511 ' HG3' ' CE1' ' A' ' 530' ' ' TYR . 18.8 mm-40 -112.03 171.67 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 30.1 p -92.62 163.72 13.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.92 -59.42 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.1 -57.13 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.511 ' CE1' ' HG3' ' A' ' 526' ' ' GLU . 50.7 t80 -49.53 -63.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 97.9 t -49.96 -66.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.0 tp -158.08 110.14 1.74 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.83 55.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -54.61 -51.53 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.6 p-80 -46.19 -49.82 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.682 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 47.3 tpp -64.75 -49.4 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.1 ttm -51.66 -48.44 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.98 -60.4 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -39.99 -45.2 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.7 -56.06 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -47.86 -35.74 10.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -80.71 -39.11 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' ' 577' ' ' ARG . 47.5 mt 58.56 54.66 5.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.604 0.716 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.448 ' N ' HG21 ' A' ' 573' ' ' ILE . 53.8 Cg_endo -69.73 105.44 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -56.58 -30.05 62.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.415 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 5.6 mm-40 -99.02 159.37 30.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 547' ' ' GLU . 53.9 Cg_endo -69.73 -22.82 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.739 2.293 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.65 -31.03 36.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.4 ' O ' ' SG ' ' A' ' 554' ' ' CYS . 5.3 mp -76.71 -20.6 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 60.4 mt -90.86 -38.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 30.3 p -50.22 -28.85 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 67.6 m -95.67 136.57 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -162.42 105.02 1.09 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 176.33 32.99 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.326 -0.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.78 123.86 42.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . 0.407 ' HG2' ' CG2' ' A' ' 562' ' ' VAL . 54.1 Cg_endo -69.76 168.92 20.18 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -38.48 7.81 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 564' ' ' GLN . 65.1 mt -60.78 -67.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.407 ' CG2' ' HG2' ' A' ' 559' ' ' PRO . 96.3 t -39.63 -37.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.17 -34.94 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' LEU . 9.5 tt0 -69.55 -54.61 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -93.17 23.96 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 567' ' ' ASN . 6.7 tp -55.0 -28.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . 0.466 ' N ' HG21 ' A' ' 566' ' ' ILE . 8.2 m-20 -66.85 -47.33 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.39 -49.15 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.7 mtp -52.87 -52.09 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -53.1 -47.04 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.26 -45.2 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 60.5 mt -57.32 -55.75 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 545' ' ' PRO . 38.8 mm -49.21 -38.48 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.78 -31.44 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.77 -23.41 60.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.43 -25.58 23.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.481 ' NE ' ' O ' ' A' ' 544' ' ' LEU . 5.5 mtt-85 -92.23 -40.52 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.2 -39.6 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.862 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.766 0.317 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -54.01 -45.77 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -54.46 -46.42 73.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 48.9 mt -57.86 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.407 ' CG2' ' HA ' ' A' ' 576' ' ' ALA . 54.9 m -50.73 -56.0 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -54.07 -51.18 64.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 74.6 t80 -50.05 -53.99 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -52.29 -53.29 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 37.0 mt -52.42 -53.86 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 514' ' ' PHE . 38.4 mt -54.28 -65.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 513' ' ' LEU . 26.6 t80 -34.35 -54.09 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.38 -62.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -43.96 -42.62 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.463 ' CZ ' ' HB ' ' A' ' 531' ' ' VAL . 2.8 ttt-85 -57.01 -64.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -40.88 -50.05 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -50.83 -52.06 45.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 23.3 m -60.73 -36.18 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -68.53 -21.29 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.55 -31.04 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . 0.469 ' CG ' ' OE2' ' A' ' 524' ' ' GLU . 6.4 ptm180 -91.26 -38.09 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.469 ' OE2' ' CG ' ' A' ' 523' ' ' ARG . 0.2 OUTLIER -70.85 -35.57 72.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 12.1 t70 72.0 51.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 530' ' ' TYR . 22.6 mt-10 -129.63 174.14 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.1 p -64.88 168.32 6.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . 0.455 ' O ' ' NH2' ' A' ' 517' ' ' ARG . 11.1 m-85 -83.84 -22.28 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -97.24 33.57 5.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.453 ' CE2' ' CD ' ' A' ' 526' ' ' GLU . 5.2 t80 -124.64 -67.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.463 ' HB ' ' CZ ' ' A' ' 517' ' ' ARG . 45.4 t -47.23 -51.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.3 tp -156.51 105.01 2.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.9 Cg_endo -69.73 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.83 -49.67 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.54 ' CG ' ' N ' ' A' ' 536' ' ' MET . 14.6 p-80 -54.52 -48.43 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.54 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 34.9 ttm -63.75 -55.45 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 22.8 ttm -48.53 -58.91 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.0 mt -53.17 -56.86 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -39.36 -60.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.83 -57.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.88 -35.92 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -81.94 -39.83 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -55.32 -49.06 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 38.8 mt 62.67 49.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.81 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -50.09 -27.7 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.3 mt-10 -103.4 160.0 27.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.3 Cg_endo -69.76 -27.68 26.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -55.82 -30.68 57.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 4.9 mp -73.54 -23.89 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.422 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -85.06 -33.17 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.9 m -67.27 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.32 115.08 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -142.39 108.63 5.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 177.55 28.38 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.369 -0.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 552' ' ' ILE . 46.2 t -93.34 124.84 56.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.46 56.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.68 8.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 564' ' ' GLN . 64.5 mt -100.34 -69.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 78.4 t -39.67 -36.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.02 -37.07 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 561' ' ' LEU . 24.9 tt0 -71.81 -52.24 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -90.85 21.68 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.5 tp -53.39 -31.18 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.1 -48.88 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.86 -50.81 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 60.2 mtp -52.9 -47.99 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -55.07 -48.9 72.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 82.8 mt -52.53 -45.39 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.25 -49.54 75.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.47 -43.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -62.61 -39.17 92.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.55 -43.15 99.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . 0.407 ' HA ' ' CG2' ' A' ' 508' ' ' THR . . . -65.41 -35.61 81.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 13.8 mtp-105 -78.94 -31.84 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.85 -49.21 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.514 0.673 . . . . 0.0 110.87 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -57.22 -51.51 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -44.19 -45.89 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.5 mt -64.91 -53.48 45.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 25.3 m -45.28 -54.04 7.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.64 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -45.24 -41.31 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -65.81 -52.52 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 46.8 mt -49.79 -48.95 50.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.97 -48.08 82.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -47.87 -64.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -47.58 -47.56 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -57.43 -50.14 73.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -48.28 -50.65 29.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -58.09 -47.83 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 520' ' ' THR . 2.9 tmmm? -49.17 -61.52 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.457 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.9 m -64.56 -37.67 88.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.19 -36.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.81 -54.77 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -49.68 -47.98 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.8 -34.33 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 70.0 42.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -128.79 166.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.6 t -62.17 132.58 53.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 529' ' ' GLY . 60.8 m-85 -43.08 -52.46 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.86 -51.84 2.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 561' ' ' LEU . 2.6 t80 -54.43 -55.61 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.415 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 88.2 t -47.72 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 11.9 tp -164.31 108.47 0.88 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.73 -173.06 0.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -74.23 -52.67 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 7.8 p80 -48.21 -50.76 28.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.66 -60.59 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 5.4 ttp -45.01 -37.79 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.41 -47.72 66.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -49.62 -46.22 49.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 573' ' ' ILE . 11.0 mt -72.66 -53.09 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.33 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -83.94 -44.91 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.65 -53.57 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 26.9 mt 58.07 51.54 4.47 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.82 135.88 31.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 8.1 ptmm? -67.0 -42.31 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.4 160.61 36.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.78 -7.0 19.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.73 -50.5 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.43 -31.78 9.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -73.56 -29.92 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.438 ' CG2' HG21 ' A' ' 558' ' ' VAL . 54.9 mt -77.45 -33.86 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -69.81 -45.89 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.46 ' SG ' ' CG1' ' A' ' 540' ' ' ILE . 3.9 p -39.15 -30.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 553' ' ' ALA . 0.9 OUTLIER -103.86 155.22 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -173.37 106.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 177.86 27.37 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.343 -0.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 552' ' ' ILE . 92.5 t -100.61 124.01 43.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.25 38.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.3 9.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 530' ' ' TYR . 76.1 mt -93.36 -70.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 94.3 t -40.59 -38.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -72.38 -46.1 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.49 -56.72 15.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -84.31 14.31 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.8 tp -47.5 -33.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.32 -52.36 58.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.18 -50.22 74.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.0 mtp -52.09 -55.09 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.6 t-160 -48.53 -49.38 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 92.7 mt -52.7 -47.0 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.8 mt -55.58 -44.07 76.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 540' ' ' ILE . 30.3 mm -58.54 -47.23 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -60.85 -34.02 73.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.68 -47.28 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.5 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 578' ' ' GLU . 71.5 mtp180 -76.36 -41.11 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 577' ' ' ARG . 7.3 mt-10 -34.22 -53.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.539 0.685 . . . . 0.0 110.884 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.02 -67.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -41.22 -46.75 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.03 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.7 m -49.23 -46.71 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.19 78.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 510' ' ' PHE . 3.6 t80 -55.63 -42.69 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -71.36 -43.66 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.3 -47.99 83.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.18 -55.57 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -44.73 -61.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -55.37 -51.08 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 7.2 t90 -50.48 -42.54 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.481 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 16.7 ttm180 -61.07 -62.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 518' ' ' ASP . 0.2 OUTLIER -40.15 -44.9 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.14 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 29.3 m -58.15 -29.1 65.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.78 -54.53 46.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -59.21 -47.72 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -57.8 -45.08 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -81.81 4.34 22.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.98 39.66 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.68 167.45 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.8 t -71.87 137.95 47.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -43.14 -55.82 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -60.8 -53.47 45.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 530' ' ' TYR . 6.0 t80 -40.09 -48.83 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.44 HG12 ' CG ' ' A' ' 517' ' ' ARG . 98.2 t -54.23 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . 0.481 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 12.4 tp -146.26 118.85 5.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.476 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 164.23 35.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 535' ' ' HIS . 73.3 m-20 -68.39 -66.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 9.0 p80 -35.36 -48.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.452 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.9 ttm -59.64 -60.52 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 50.5 ttp -42.98 -50.8 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.6 mt -51.95 -59.27 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -43.95 -41.94 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 22.9 mt -70.66 -57.62 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.61 -27.56 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -89.0 -24.72 22.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -80.02 -42.45 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.45 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 60.8 mt 50.94 53.61 14.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.475 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.75 113.74 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -47.67 -52.38 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -81.13 155.62 72.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.663 0.744 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.09 -39.91 75.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.26 -25.97 63.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.7 mp -80.68 -20.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.57 -31.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.91 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 7.0 p -48.9 -34.05 11.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.17 142.34 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -164.42 107.51 0.87 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.98 30.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.331 -0.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 37.2 t -97.1 126.87 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.68 48.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.47 12.08 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 564' ' ' GLN . 78.4 mt -94.87 -74.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 561' ' ' LEU . 71.7 t -36.77 -38.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -75.16 -42.13 56.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.5 tt0 -65.02 -50.96 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -97.97 22.5 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.3 tp -51.55 -40.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -54.38 -53.42 54.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.569 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.9 tp10 -56.77 -54.08 50.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 54.4 mtp -50.83 -51.24 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.45 -52.54 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.5 mt -49.09 -52.97 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 36.6 mt -50.06 -50.5 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' ' 574' ' ' GLN . 17.6 mm -51.72 -46.16 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.586 ' N ' HE21 ' A' ' 574' ' ' GLN . 2.8 mm-40 -66.1 -35.9 81.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.34 -22.21 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.83 11.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -35.92 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -45.25 -50.61 11.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.0 ppp? . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.697 . . . . 0.0 110.923 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -53.65 -53.12 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -50.21 -53.1 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.12 -52.97 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.1 m -51.35 -47.92 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.37 -57.77 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 48.3 t80 -43.13 -43.96 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.17 -57.34 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 55.1 mt -41.4 -48.41 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.58 -58.4 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -37.44 -61.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -52.15 -55.23 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -49.38 -47.32 47.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 14.5 ttt-85 -52.69 -51.38 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -64.07 -44.63 91.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.5 OUTLIER -52.65 -51.84 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 92.5 m -75.53 -33.5 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.42 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -54.63 -51.92 63.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.79 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -72.35 -28.18 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 66.06 48.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -132.51 173.89 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -63.3 128.74 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . 0.409 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 55.0 m-85 -43.41 -51.11 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -54.87 -48.66 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -43.95 -47.31 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 63.8 t -53.14 -65.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.19 119.89 2.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.577 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.3 Cg_endo -69.82 176.66 6.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -72.57 -55.46 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.577 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 13.3 p80 -46.27 -50.3 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 555' ' ' CYS . 42.0 tpp -61.13 -57.94 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttm -45.5 -50.99 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -58.46 -56.4 22.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 554' ' ' CYS . 1.7 tmtp? -44.72 -39.44 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.03 -57.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -43.48 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.45 -38.27 68.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -62.05 -51.91 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 58.8 mt 60.32 52.58 3.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.77 114.52 3.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.471 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 16.2 ptmt -56.18 -33.86 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -95.71 159.32 32.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -22.08 32.7 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.405 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -61.59 -42.4 98.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -56.56 -25.74 50.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.1 mp -81.42 -19.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 558' ' ' VAL . 63.8 mt -90.88 -37.77 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 539' ' ' LYS . 30.3 p -46.55 -34.97 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 16.4 m -87.57 109.38 19.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 557' ' ' PRO . 37.8 t30 -135.58 102.7 10.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 555' ' ' CYS . 53.6 Cg_endo -69.74 -168.48 4.42 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.316 -0.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 552' ' ' ILE . 89.5 t -107.77 125.78 31.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.41 42.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.57 36.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.56 -70.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 97.8 t -37.52 -44.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -69.38 -43.65 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -62.45 -56.09 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.02 22.23 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.7 -34.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.95 -50.31 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.58 -51.49 69.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.2 mtp -51.2 -51.97 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -52.03 -51.08 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 76.5 mt -50.15 -47.12 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.12 -52.73 62.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 45.9 mm -53.37 -37.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.1 mm-40 -72.62 -34.98 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -66.83 -28.77 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -89.77 -36.54 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -75.18 -34.12 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.02 -38.13 87.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 17.9 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.908 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.441 ' CG2' ' CE ' ' A' ' 579' ' ' MET . 88.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -50.91 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -39.03 -60.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 39.1 mt -51.72 -40.99 61.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 39.4 m -57.7 -51.94 67.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.12 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.64 -56.11 22.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.31 -48.74 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 64.1 mt -51.97 -45.63 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 47.3 mt -57.96 -51.41 69.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -48.48 -59.59 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.53 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -63.62 -39.49 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 28.9 ttp85 -55.69 -41.29 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.01 -51.72 23.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.1 tmmm? -42.31 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.2 m -69.76 -40.52 76.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 522' ' ' ARG . 12.4 mtp-105 -74.18 -45.94 45.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -55.21 -39.72 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -90.18 -6.12 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 40.4 53.97 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -131.0 175.86 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.7 m -64.8 128.85 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -46.03 -46.96 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.95 -59.46 9.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -40.13 -48.45 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.965 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 92.6 t -52.66 -64.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.7 tp -155.56 116.17 2.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.5 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -74.51 -48.76 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 16.3 p80 -52.75 -49.93 64.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 28.9 tpp -66.21 -53.39 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.9 ttp -47.61 -57.32 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 539' ' ' LYS . 21.4 mt -56.53 -58.57 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 538' ' ' LEU . 31.3 tttp -36.75 -46.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.49 -54.37 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.07 -27.44 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -87.87 -40.23 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.14 -32.02 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.5 mt 48.02 52.92 13.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.8 Cg_endo -69.71 91.99 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -44.81 -28.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.463 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 18.9 mt-10 -97.9 156.82 35.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -23.03 31.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -63.87 -45.69 88.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.48 -31.99 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.46 -20.47 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 42.2 mt -91.11 -37.07 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.06 -34.74 71.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 20.2 p -51.74 -35.36 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.03 149.76 21.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.72 109.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 174.69 39.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.33 127.21 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.78 48.44 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.0 mt -90.63 -68.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 561' ' ' LEU . 72.9 t -36.61 -47.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -43.83 82.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 561' ' ' LEU . 0.6 OUTLIER -62.11 -56.54 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.26 16.81 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 4.3 tp -48.49 -34.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.98 -49.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.63 -50.88 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 37.1 mtp -51.27 -55.39 18.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -49.38 -47.77 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 71.8 mt -53.16 -46.48 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 48.7 mt -55.96 -57.72 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 37.1 mm -47.36 -39.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.27 -33.31 74.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.78 -26.11 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.33 -21.72 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -92.77 -40.87 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.57 -34.99 8.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' MET . . . . . 0.441 ' CE ' ' CG2' ' A' ' 504' ' ' THR . 17.7 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.714 0.292 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.98 -45.41 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.84 -49.24 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.03 -48.11 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 90.1 m -48.94 -52.99 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.44 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.76 -43.58 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -61.98 -54.75 37.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.33 -52.93 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.65 -52.56 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -41.99 -53.19 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.95 91.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -51.96 -55.01 22.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.47 ' HG3' ' CG1' ' A' ' 531' ' ' VAL . 27.9 ttp180 -56.32 -45.35 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -44.32 80.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 519' ' ' LYS . 1.7 ttpm? -65.55 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 57.4 m -50.95 -42.21 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -45.29 -41.31 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.93 -48.36 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -54.61 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.93 -33.67 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 3.7 t70 73.45 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . 0.569 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -117.22 162.29 18.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.4 m -58.86 137.1 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -48.95 -52.46 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.46 -45.12 37.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 75.2 t80 -55.5 -56.45 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.919 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 517' ' ' ARG . 61.4 t -47.69 -61.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.7 tp -162.78 118.9 1.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.74 171.93 13.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -71.24 -50.27 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.694 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.9 p-80 -51.5 -50.68 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.694 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 30.4 tpp -60.66 -50.06 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 27.7 ttp -50.79 -43.8 58.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.27 -61.58 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -40.15 -46.12 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.43 -54.99 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.47 -40.67 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.62 -53.1 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 50.7 mt 61.62 53.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.83 124.68 11.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.98 64.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -103.96 157.11 34.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.428 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.79 -1.79 9.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -78.44 -51.86 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.68 -35.58 16.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -69.53 -25.09 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 59.3 mt -89.39 -31.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.72 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 28.4 p -42.6 -37.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . 0.401 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 89.1 m -90.29 131.1 36.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -162.56 105.0 1.07 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.4 58.66 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.308 -0.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.09 128.02 36.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.675 0.75 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 164.93 32.7 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.6 mt -96.84 -70.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 92.2 t -36.56 -39.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -78.0 -46.24 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.52 -57.53 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.92 21.09 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.0 tp -51.0 -46.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -48.14 -50.52 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.22 -54.64 44.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.8 mtp -49.29 -52.02 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.12 -53.75 25.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 87.7 mt -49.3 -44.37 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 64.9 mt -56.46 -50.66 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 23.6 mm -53.88 -39.44 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.72 -33.66 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.04 -35.7 81.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -81.87 -36.63 28.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -74.99 -30.69 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -42.15 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.886 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.743 0.306 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.46 -60.4 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -41.52 -42.31 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.22 -53.37 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 13.4 m -46.92 -45.87 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.79 -48.04 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.462 ' CD1' HD23 ' A' ' 538' ' ' LEU . 58.9 t80 -50.6 -44.56 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -65.45 -52.57 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 81.8 mt -48.05 -48.76 33.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.54 -46.05 91.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -49.06 -48.05 44.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -53.27 -42.18 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -58.08 -59.08 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -54.06 -48.83 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -57.45 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 m -51.15 -39.06 55.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.11 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.63 -58.8 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -52.26 -39.5 60.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -76.89 -25.74 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 61.26 45.53 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.14 173.16 11.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.5 t -59.85 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -49.97 -49.38 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.46 -53.24 42.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -41.14 -57.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.437 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 80.1 t -41.24 -60.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.8 tp -163.7 119.14 1.12 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.487 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 176.24 7.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -73.84 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.487 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 12.6 p80 -38.33 -49.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.42 -59.5 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 10.1 ttp -38.56 -57.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 510' ' ' PHE . 23.6 mt -57.89 -50.34 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 554' ' ' CYS . 35.9 tttm -43.94 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.85 -58.57 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.85 -39.32 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -71.97 -45.6 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.46 -46.65 73.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 40.6 mt 62.8 55.01 2.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.8 123.41 10.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.3 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.474 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 19.1 ptmt -69.51 -41.7 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.3 161.85 29.74 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -78.31 -43.96 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -53.75 -32.79 48.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.42 HG13 ' CG ' ' A' ' 545' ' ' PRO . 4.7 mp -71.2 -33.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 558' ' ' VAL . 49.8 mt -77.26 -38.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.34 51.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 539' ' ' LYS . 2.3 m -60.42 -65.61 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 41.2 m -62.08 126.55 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -155.09 105.11 2.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 171.33 54.28 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.344 -0.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 552' ' ' ILE . 88.2 t -95.32 135.15 23.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . 0.473 ' CG ' HG22 ' A' ' 562' ' ' VAL . 54.4 Cg_endo -69.69 162.85 40.45 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.3 20.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 73.4 mt -95.9 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 559' ' ' PRO . 87.2 t -39.67 -35.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -77.45 -44.65 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.37 28.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -55.21 -40.44 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -55.61 -46.11 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.09 -49.64 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 44.5 mtp -53.73 -49.75 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 2.9 t-160 -54.88 -43.52 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.81 -47.37 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.5 mt -54.25 -55.42 28.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.24 -47.5 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.5 mm-40 -57.53 -38.78 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.12 99.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 578' ' ' GLU . 54.4 mtp180 -69.59 -41.56 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 577' ' ' ARG . 36.8 mm-40 -36.73 -48.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.2 ptm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.876 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.416 ' CG2' ' HE3' ' A' ' 579' ' ' MET . 72.2 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.13 -62.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -38.4 -58.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.46 -54.15 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 22.9 m -46.05 -47.63 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.14 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.52 -45.13 81.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -62.38 -48.38 80.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.9 -54.97 35.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 68.6 mt -51.42 -49.66 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -50.95 -59.5 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.73 -52.46 23.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -56.11 -43.62 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -52.38 -47.82 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.06 -44.79 95.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -63.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.476 ' CG2' ' OE2' ' A' ' 524' ' ' GLU . 98.8 m -53.04 -34.29 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.54 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -71.56 -40.17 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.93 -40.13 32.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.476 ' OE2' ' CG2' ' A' ' 520' ' ' THR . 0.1 OUTLIER -71.19 -33.39 69.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.73 38.49 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -119.38 176.39 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.1 m -61.93 134.01 56.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -52.15 -59.76 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -50.52 -46.89 45.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -45.71 -43.21 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.433 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 96.3 t -57.59 -66.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 22.4 tp -152.52 117.07 2.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.496 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.75 175.06 8.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -72.71 -58.15 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.496 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 9.4 p80 -43.94 -45.25 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.49 -53.19 20.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.1 ttm -47.89 -45.24 30.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.37 -55.09 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -40.71 -51.41 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 41.6 mt -67.17 -54.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -46.96 -38.77 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -79.19 -40.39 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -58.97 -50.33 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.1 mt 59.1 52.11 3.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.71 128.01 15.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -67.29 -46.45 73.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -84.56 160.52 56.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.27 34.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -69.55 -45.74 68.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -53.98 -20.35 13.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.0 mp -88.31 -24.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.444 ' CG2' HG21 ' A' ' 558' ' ' VAL . 41.1 mt -85.77 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.12 91.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 14.1 p -44.4 -38.14 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.2 p -102.76 140.39 37.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.39 109.42 0.99 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.49 48.87 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.351 -0.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 552' ' ' ILE . 54.7 t -95.94 135.88 22.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . 0.405 ' HD2' ' CG1' ' A' ' 558' ' ' VAL . 54.3 Cg_endo -69.73 162.76 40.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -4.24 13.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 81.9 mt -99.47 -68.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.91 -36.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -77.45 -41.64 38.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.97 -54.06 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -93.6 22.34 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.9 tp -50.4 -40.61 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -55.26 -51.38 66.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.04 -51.05 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.0 mtp -51.55 -50.17 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.85 -47.31 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.71 -46.85 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.4 -53.36 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.59 -41.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.07 -28.13 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.93 -27.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -85.78 -43.34 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -43.5 -38.89 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' MET . . . . . 0.416 ' HE3' ' CG2' ' A' ' 504' ' ' THR . 5.3 ppp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.761 0.315 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.23 -49.83 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -49.37 -51.7 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.61 -50.38 70.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 16.9 m -49.45 -42.33 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.45 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.504 ' CE1' ' HE2' ' A' ' 537' ' ' MET . 48.3 t80 -50.69 -43.72 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -62.86 -49.15 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.9 mt -56.83 -52.19 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.25 -59.15 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 6.3 t80 -39.46 -49.83 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.527 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 49.8 t90 -58.27 -60.23 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -44.73 -50.53 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -60.4 -38.21 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -61.92 -57.6 11.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 24.4 m -59.46 -31.5 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.48 -48.22 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.0 -63.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -40.75 -44.67 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -78.32 -34.38 48.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 17.7 t0 69.85 43.46 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -127.82 169.18 14.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.9 t -64.81 139.57 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -43.19 -45.11 5.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -51.42 -69.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 529' ' ' GLY . 15.7 t80 -34.41 -58.62 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 58.4 t -44.93 -61.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 25.1 tp -160.68 119.2 1.52 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.81 167.24 25.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -69.86 -59.98 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 536' ' ' MET . 12.1 p-80 -41.75 -47.12 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 38.2 ttm -63.89 -54.21 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' MET . . . . . 0.504 ' HE2' ' CE1' ' A' ' 510' ' ' PHE . 22.9 ttp -48.4 -58.22 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 21.9 mt -50.54 -57.5 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -42.88 -46.35 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 74.0 mt -69.03 -53.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.58 -36.22 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.55 -44.02 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -56.05 -48.37 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.468 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.2 mt 62.98 52.65 1.66 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.549 0.69 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.13 -29.29 30.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.445 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 6.3 mt-10 -97.63 157.84 34.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.84 34.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -64.33 -48.31 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.08 23.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.54 -21.41 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.409 ' CG2' HG23 ' A' ' 558' ' ' VAL . 59.8 mt -90.09 -37.47 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.23 81.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 22.5 p -45.05 -36.63 3.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.5 p -102.13 133.28 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -157.5 110.74 1.84 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.44 48.82 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.352 -0.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.409 HG23 ' CG2' ' A' ' 552' ' ' ILE . 50.9 t -95.89 134.95 23.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 160.11 50.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.37 11.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 96.7 mt -96.32 -74.33 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 80.4 t -37.78 -38.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -72.56 -42.42 64.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 561' ' ' LEU . 11.9 tt0 -65.75 -48.96 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -99.62 24.54 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.25 -34.81 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -60.62 -48.72 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . 0.527 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.3 tp10 -60.63 -51.44 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' MET . . . . . 0.495 ' HE1' ' CZ3' ' A' ' 516' ' ' TRP . 45.9 mtp -51.94 -53.18 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.1 t-160 -51.27 -48.56 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.72 -45.18 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.38 -47.97 80.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 48.2 mm -55.3 -40.23 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.86 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -68.17 -42.06 80.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -71.13 -40.2 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -39.86 -50.82 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 13.5 ptm . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.09 -58.02 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.11 -46.95 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 576' ' ' ALA . 90.7 m -52.84 -49.17 66.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.23 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.19 -46.47 72.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.95 -50.84 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 42.3 mt -50.99 -51.24 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.77 -54.03 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.5 -60.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.37 64.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -54.9 -54.5 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.75 -50.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -57.99 -43.36 86.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -63.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 521' ' ' ALA . 57.7 m -56.21 -46.62 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -34.31 -53.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -58.72 -60.23 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 25.2 mmm-85 -46.36 -44.92 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.2 -28.14 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.78 41.76 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . 0.547 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 3.6 tp10 -128.59 162.42 27.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 13.1 t -63.35 140.6 58.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -48.87 -58.24 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -39.29 -42.55 1.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 66.5 t80 -66.41 -49.36 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.461 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 93.0 t -58.46 -64.76 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.2 tp -158.95 105.01 1.57 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.732 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.2 Cg_endo -69.75 173.71 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.451 ' ND2' HD12 ' A' ' 538' ' ' LEU . 0.1 OUTLIER -62.86 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.645 ' CG ' ' N ' ' A' ' 536' ' ' MET . 8.8 p-80 -36.08 -54.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.645 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 33.8 ttm -57.33 -61.08 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.5 ttp -43.5 -50.91 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.451 HD12 ' ND2' ' A' ' 534' ' ' ASN . 31.9 mt -58.9 -56.71 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -39.7 -57.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.21 -57.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.443 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.19 -40.37 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.88 -40.83 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.0 -47.31 81.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.5 mt 58.1 51.34 4.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.76 114.71 3.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 17.6 ptmt -55.86 -41.13 73.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -93.23 161.36 31.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.751 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -22.59 32.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -66.76 -37.57 84.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.416 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.19 -31.36 73.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 4.4 mp -74.46 -33.73 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.45 -36.2 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.48 -60.34 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 33.2 m -62.66 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -154.53 104.97 2.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.6 52.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.367 -0.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 83.6 t -96.07 125.65 47.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.46 38.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -7.86 22.11 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.708 2.272 . . . . 0.0 112.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 92.2 mt -88.74 -73.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.29 -39.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.14 -42.67 62.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.87 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -84.54 24.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 567' ' ' ASN . 7.1 tp -55.38 -47.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . 0.416 ' N ' HG21 ' A' ' 566' ' ' ILE . 45.6 m-80 -46.06 -47.67 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.2 -52.5 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.6 mtp -51.77 -50.68 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.6 t-160 -52.82 -49.08 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.0 mt -51.85 -47.72 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.69 -46.79 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.2 -41.38 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 6.3 mm-40 -66.67 -34.28 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -66.25 -42.3 88.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 508' ' ' THR . . . -63.85 -45.02 91.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 15.0 mtp-105 -71.12 -42.89 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -38.48 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 10.1 ptm . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.817 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 55.9 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.742 0.306 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -56.88 -49.39 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -50.92 -40.81 57.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.04 -52.37 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 55.8 m -49.66 -46.42 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 576' ' ' ALA . . . -68.25 -46.07 71.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 538' ' ' LEU . 21.2 t80 -48.45 -40.49 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.73 -47.14 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.92 -44.52 78.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.96 -53.33 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 4.9 t80 -45.59 -49.75 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.39 -58.83 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.5 ' CZ3' ' HE2' ' A' ' 569' ' ' MET . 42.6 t90 -49.37 -55.79 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -44.59 -54.45 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.6 -26.68 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -66.22 -49.63 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 96.9 m -67.13 -35.25 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -39.3 -40.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -54.75 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -55.93 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 526' ' ' GLU . 5.3 mm-40 -71.58 -27.83 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 524' ' ' GLU . 0.4 OUTLIER 48.05 50.8 15.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 524' ' ' GLU . 2.0 mp0 -146.56 172.68 13.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.5 m -59.11 137.76 57.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 529' ' ' GLY . 25.9 m-85 -48.0 -57.18 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.69 -55.13 1.76 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.05 -45.28 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.6 -64.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.5 tp -159.53 122.72 1.98 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.8 Cg_endo -69.71 168.58 21.07 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -69.79 -62.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 536' ' ' MET . 11.0 p-80 -40.31 -52.14 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.585 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 18.7 ttm -60.52 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 536' ' ' MET . 41.5 ttp -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 510' ' ' PHE . 52.2 mt -64.51 -51.23 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -41.18 -43.24 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.41 -47.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -56.12 -31.96 63.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.65 -45.88 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.07 -43.94 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.452 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.8 mt 56.76 53.31 6.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 54.0 Cg_endo -69.72 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.451 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 6.9 ptpp? -52.56 -51.95 57.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.401 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.6 mm-40 -78.75 159.76 73.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.401 ' HD2' ' CD ' ' A' ' 547' ' ' GLU . 53.8 Cg_endo -69.77 -19.59 35.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.89 -46.66 88.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.83 -21.18 22.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.7 mp -85.22 -24.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 55.6 mt -85.62 -51.14 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.98 -27.71 53.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 3.1 p -51.72 -32.79 31.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 6.1 t -107.39 152.94 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -168.35 108.42 0.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.68 39.64 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.343 -0.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 90.5 t -109.5 127.05 27.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.78 27.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.28 -34.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 566' ' ' ILE . 11.8 tpt180 -83.39 -46.6 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.96 -54.22 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.09 14.3 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.405 ' CG2' ' O ' ' A' ' 563' ' ' ARG . 3.6 tp -49.03 -40.92 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.14 -49.94 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.59 -53.34 59.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' MET . . . . . 0.5 ' HE2' ' CZ3' ' A' ' 516' ' ' TRP . 45.1 mtp -50.08 -52.62 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -50.9 -49.74 58.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.33 -49.52 61.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 35.6 mt -52.5 -56.28 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.6 mm -48.9 -42.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 11.7 mm-40 -68.59 -30.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.13 -26.58 62.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 509' ' ' ALA . . . -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 11.6 mtp-105 -84.42 -38.54 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 577' ' ' ARG . 8.0 pt-20 -36.91 -40.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.4 ppp? . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.604 0.716 . . . . 0.0 110.849 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.743 0.306 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -51.72 -59.03 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -43.5 -49.5 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.39 -50.07 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.8 m -55.21 -53.97 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.97 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -52.4 -53.03 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.46 -53.28 56.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.86 -47.94 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 514' ' ' PHE . 89.5 mt -59.88 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 513' ' ' LEU . 8.5 t80 -34.78 -61.35 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.64 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.62 -51.54 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -47.34 -51.42 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.23 -46.59 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 1.0 OUTLIER -50.42 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 79.5 m -59.05 -40.59 85.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.13 -43.55 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 522' ' ' ARG . 4.3 tmt_? -68.81 -54.31 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -49.87 -43.74 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.11 -34.33 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 8.2 t0 70.92 42.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -126.56 170.45 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 97.4 p -59.12 133.92 56.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -53.27 -42.62 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.26 55.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -48.35 -57.79 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 98.2 t -43.41 -62.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.2 tp -159.57 118.77 1.67 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.7 173.41 10.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.759 2.306 . . . . 0.0 112.341 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -40.09 -54.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.421 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 43.9 ttm -57.67 -58.52 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 536' ' ' MET . 13.5 ttp -36.76 -51.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.58 -57.54 11.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -37.84 -42.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 67.9 mt -70.98 -56.27 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -49.95 -36.74 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -74.7 -38.96 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.6 -45.6 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.457 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.9 mt 55.18 52.9 8.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.466 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.8 Cg_endo -69.71 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -47.57 -31.2 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.464 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.5 mt-10 -95.99 157.8 35.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.73 -26.78 27.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.87 -43.39 94.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -55.16 -23.17 31.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -82.92 -21.41 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.98 -46.81 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.55 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.498 ' HG ' ' N ' ' A' ' 555' ' ' CYS . 11.9 p -52.08 -41.57 62.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 554' ' ' CYS . 3.7 t -94.06 147.63 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -166.69 104.99 0.66 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 176.87 30.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.329 -0.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 555' ' ' CYS . 91.9 t -112.18 128.91 24.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.9 30.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.63 -63.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.98 -37.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.9 tpt85 -81.74 -41.26 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -59.47 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -92.86 23.77 4.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.8 tp -53.37 -41.18 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -53.93 -50.28 66.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.68 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.1 mtp -50.45 -52.45 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.6 t-160 -49.87 -50.58 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.42 -44.83 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.6 -47.53 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.15 -46.26 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.88 -42.16 97.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.24 -46.11 79.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.78 -31.36 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -81.97 -30.62 31.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -46.09 -46.53 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.861 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.704 0.287 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -57.91 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -42.01 -47.05 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.66 -58.93 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 89.9 m -45.96 -52.23 12.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.09 90.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.51 ' CE1' HD22 ' A' ' 538' ' ' LEU . 42.5 t80 -55.89 -47.75 76.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.62 -44.44 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.39 -50.69 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.75 -45.77 85.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -51.41 -61.22 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.84 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.412 ' CZ3' ' HE1' ' A' ' 569' ' ' MET . 47.5 t90 -49.53 -50.15 43.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -50.32 -51.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.51 -48.53 81.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -59.99 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 91.0 m -56.94 -56.61 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.01 -28.74 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -76.15 -33.16 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -81.39 -46.18 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -27.59 63.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 64.92 45.15 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.75 178.84 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.3 t -59.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.59 -58.53 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -51.73 -42.24 52.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -46.84 -45.69 20.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.41 . . . . 0.0 110.927 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.469 HG23 ' CD1' ' A' ' 561' ' ' LEU . 99.0 t -62.61 -64.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 12.8 tp -155.51 105.02 2.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.529 ' HG2' ' CE1' ' A' ' 535' ' ' HIS . 53.7 Cg_endo -69.76 157.65 59.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -51.11 -54.11 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.637 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.3 p-80 -43.58 -53.78 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.637 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 35.3 tpp -64.2 -59.53 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 11.6 ttp -39.18 -48.4 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.51 HD22 ' CE1' ' A' ' 510' ' ' PHE . 31.5 mt -60.68 -53.6 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -49.85 -43.25 48.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 36.0 mt -70.63 -58.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -45.14 28.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -69.12 -44.61 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.02 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 65.9 mt 62.63 54.05 2.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.464 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.5 Cg_endo -69.76 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.454 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 0.0 OUTLIER -54.19 -35.0 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 10.9 mt-10 -95.77 161.14 28.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.29 26.74 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -56.62 -44.88 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -52.27 -36.01 44.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 5.0 mp -76.22 -23.35 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 51.8 mt -83.94 -41.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.94 68.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 15.2 p -41.25 -35.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 59.9 m -93.19 134.81 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -162.74 104.97 1.05 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 172.17 50.41 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 -0.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 84.7 t -98.15 126.4 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.02 28.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -4.4 13.91 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 564' ' ' GLN . 42.4 mt -93.02 -75.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 84.8 t -36.29 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -76.52 -41.28 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.3 tt0 -68.13 -54.73 15.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -85.8 18.31 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 567' ' ' ASN . 4.4 tp -50.61 -38.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . 0.453 ' N ' HG21 ' A' ' 566' ' ' ILE . 13.0 m120 -58.65 -49.51 77.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.8 -52.95 62.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' MET . . . . . 0.412 ' HE1' ' CZ3' ' A' ' 516' ' ' TRP . 36.9 mmm -50.39 -57.52 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.3 t-160 -48.46 -46.08 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 42.4 mt -52.72 -48.44 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.99 -41.49 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.0 mm-40 -67.17 -29.02 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.26 -37.31 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.34 28.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -88.15 -42.03 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.78 -42.6 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.446 ' CG2' ' HE1' ' A' ' 579' ' ' MET . 25.7 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.727 0.299 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -52.87 -57.9 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -41.17 -57.37 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 508' ' ' THR . 29.8 mt -49.36 -63.92 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 507' ' ' LEU . 60.2 m -36.39 -45.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -70.53 -44.39 67.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.426 ' CE1' HD21 ' A' ' 538' ' ' LEU . 61.5 t80 -58.17 -49.19 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.04 -44.8 96.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.16 -46.85 82.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.89 -50.41 56.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 3.9 t80 -44.53 -51.92 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.76 75.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.07 -54.5 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 20.1 ttp180 -52.42 -56.31 15.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.59 -32.64 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -70.18 -60.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 45.9 m -55.79 -34.42 65.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -40.7 -43.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 522' ' ' ARG . 5.8 mmm180 -69.67 -53.6 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.14 -51.98 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.76 -28.67 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.3 46.06 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -126.0 167.27 15.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 47.6 m -60.68 135.47 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . 0.414 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 33.1 m-85 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -47.28 -56.25 8.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -44.54 -44.5 8.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 74.9 t -58.99 -62.66 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 18.6 tp -157.86 118.44 1.95 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.05 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -73.6 -64.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 536' ' ' MET . 9.1 p-80 -38.71 -43.27 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 555' ' ' CYS . 38.3 ttm -68.3 -57.57 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 23.0 ttp -49.06 -55.48 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.426 HD21 ' CE1' ' A' ' 510' ' ' PHE . 19.7 mt -56.65 -53.56 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -43.49 -49.41 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.41 ' CG2' HD11 ' A' ' 573' ' ' ILE . 93.9 mt -67.77 -58.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.93 -35.18 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -85.25 -35.38 21.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.52 -48.5 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 46.8 mt 63.61 51.82 1.35 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 574' ' ' GLN . 0.2 OUTLIER -41.81 -29.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.465 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 40.8 mt-10 -97.46 154.64 37.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . 0.41 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -19.39 36.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -67.39 -46.05 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.53 -26.75 24.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -80.91 -21.38 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 58.9 mt -92.83 -35.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 31.7 p -50.01 -29.74 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . 0.471 ' HB3' ' CE ' ' A' ' 536' ' ' MET . 1.3 p -103.21 139.46 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -157.07 107.82 1.91 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -179.19 18.42 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 -0.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.95 133.49 22.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.62 62.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.01 11.15 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 564' ' ' GLN . 89.7 mt -98.9 -71.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 561' ' ' LEU . 69.5 t -37.77 -36.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -74.57 -40.79 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 561' ' ' LEU . 6.5 mt-30 -69.98 -53.93 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.85 22.08 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.1 tp -54.05 -39.33 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.45 -55.72 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.3 mtp -48.75 -53.32 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -50.95 -49.71 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.19 -44.41 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.98 -53.2 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.41 HD11 ' CG2' ' A' ' 540' ' ' ILE . 46.3 mm -50.97 -38.77 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.6 mm-40 -69.81 -33.23 72.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.74 -24.92 61.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -86.6 -27.76 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 578' ' ' GLU . 44.8 mtp85 -86.65 -42.25 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 577' ' ' ARG . 11.2 pt-20 -36.76 -42.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' MET . . . . . 0.446 ' HE1' ' CG2' ' A' ' 504' ' ' THR . 5.5 ppp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 52.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.705 0.288 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -55.62 -59.85 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -42.18 -58.71 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.73 -44.85 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 24.0 m -53.62 -47.89 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.59 90.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 538' ' ' LEU . 90.5 t80 -52.58 -44.99 66.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -64.05 -50.86 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.5 mt -54.26 -46.97 72.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.8 -48.54 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -47.65 -60.44 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.28 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.514 ' CZ3' ' SD ' ' A' ' 569' ' ' MET . 39.9 t90 -58.9 -41.75 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 34.1 ttt180 -54.28 -54.61 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.38 -38.44 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.3 tmmm? -58.02 -52.47 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.469 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.3 m -74.25 -21.28 59.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -76.55 -42.71 41.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -70.78 -34.17 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -75.76 -47.09 27.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 524' ' ' GLU . 0.0 OUTLIER -79.52 -7.85 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 41.64 52.49 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.83 171.26 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -59.96 131.47 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.6 49.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.28 -42.15 81.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.97 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . 0.456 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 22.3 tp -141.21 108.88 6.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.96 61.6 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 535' ' ' HIS . 54.5 t30 -47.73 -61.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.6 p-80 -37.22 -52.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.612 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 26.2 tpp -65.98 -52.83 46.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 20.3 ttp -48.61 -61.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 510' ' ' PHE . 32.0 mt -49.0 -56.85 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -43.64 -43.64 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.49 ' CD1' ' SG ' ' A' ' 554' ' ' CYS . 70.5 mt -71.31 -58.63 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -48.58 -30.02 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.7 -34.51 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.36 -52.68 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 51.0 mt 61.55 53.0 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.476 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 4.2 ptmm? -38.41 -54.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -81.05 156.09 72.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.83 -42.17 95.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -58.17 -29.11 62.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.18 -22.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 21.8 mt -86.22 -40.5 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.49 ' SG ' ' CD1' ' A' ' 540' ' ' ILE . 14.1 p -43.71 -31.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.86 145.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -165.56 108.04 0.76 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.33 36.86 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.371 -0.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.93 133.45 24.25 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 158.6 56.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.18 15.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' GLN . 96.0 mt -96.61 -73.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -37.99 -35.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.8 tpt85 -73.67 -43.11 60.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 561' ' ' LEU . 29.9 tt0 -70.44 -54.37 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.08 21.44 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 7.5 tp -54.81 -40.18 51.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -53.68 -45.6 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -63.97 -54.6 31.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' MET . . . . . 0.514 ' SD ' ' CZ3' ' A' ' 516' ' ' TRP . 64.7 mmm -50.53 -50.68 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.8 t-160 -52.03 -53.31 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.95 -49.53 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.82 -54.88 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 544' ' ' LEU . 16.1 mm -46.55 -46.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.697 HE21 ' N ' ' A' ' 574' ' ' GLN . 1.3 mm-40 -63.73 -36.63 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.42 ' HA ' ' CD ' ' A' ' 578' ' ' GLU . 20.0 mt-30 -70.18 -21.41 63.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -93.31 -35.39 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -40.09 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 579' ' ' MET . 16.2 pt-20 -47.78 -46.76 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 578' ' ' GLU . 15.1 ptm . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 506' ' ' GLN . 78.0 mt-30 -52.43 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 505' ' ' GLN . 44.2 mt-30 -36.65 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.59 -49.4 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.9 m -50.32 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . 0.472 ' HB1' ' CB ' ' A' ' 576' ' ' ALA . . . -64.49 -49.03 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . 0.566 ' CE1' ' HE1' ' A' ' 537' ' ' MET . 66.8 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -63.48 -53.53 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 50.9 mt -52.81 -45.09 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.08 -53.11 61.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.73 -51.79 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.11 71.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -52.78 -44.52 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -60.51 -42.66 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.3 OUTLIER -57.77 -63.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 521' ' ' ALA . 21.4 m -59.37 -42.35 91.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -33.59 -53.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.05 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -57.51 -42.67 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -70.94 -31.0 67.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 43.4 t0 65.97 41.64 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.73 167.07 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 65.6 p -59.31 152.14 21.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.66 -59.5 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.7 11.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.0 -50.16 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.97 0.414 . . . . 0.0 110.954 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.8 -61.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.0 tp -154.81 105.01 2.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -54.47 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 536' ' ' MET . 7.2 p-80 -47.79 -48.81 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' MET . . . . . 0.563 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 31.4 ttm -64.8 -59.71 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' MET . . . . . 0.566 ' HE1' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttp -45.58 -46.55 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 539' ' ' LYS . 26.8 mt -63.52 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 538' ' ' LEU . 5.7 ttmm -34.44 -38.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . 0.437 ' CD1' ' SG ' ' A' ' 554' ' ' CYS . 64.9 mt -78.18 -54.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.91 40.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.03 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.95 -53.11 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.465 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 70.6 mt 62.79 52.54 1.74 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.73 109.79 2.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.468 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 11.1 ptmm? -52.09 -42.65 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -86.35 158.12 55.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.35 37.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -63.69 -48.9 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -51.23 -29.27 21.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.7 mp -80.29 -25.55 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.446 ' CG1' HD12 ' A' ' 566' ' ' ILE . 47.0 mt -80.17 -38.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -71.62 -43.13 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 540' ' ' ILE . 9.6 p -41.81 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 553' ' ' ALA . 1.9 p -115.28 132.92 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -153.44 111.5 2.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 173.46 44.65 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.294 0.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.84 127.84 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.46 45.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.71 8.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.15 -64.32 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 98.6 t -42.39 -41.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.23 -41.56 57.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.85 -58.79 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.69 31.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . 0.446 HD12 ' CG1' ' A' ' 552' ' ' ILE . 6.3 tp -55.57 -39.91 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -55.8 -47.75 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.87 -49.26 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.03 -51.16 62.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 7.5 t-160 -52.91 -46.86 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 97.2 mt -53.86 -46.48 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.45 -48.36 77.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 46.9 mm -56.25 -38.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 17.0 mm-40 -71.52 -30.28 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.35 -33.5 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . 0.472 ' CB ' ' HB1' ' A' ' 509' ' ' ALA . . . -83.3 -26.3 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -84.59 -44.61 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -49.63 -40.51 39.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' MET . . . . . 0.414 ' SD ' ' O ' ' A' ' 579' ' ' MET . 5.0 ppp? . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 83.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -52.78 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -39.41 -50.46 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 20.9 mt -52.87 -49.2 66.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 69.9 m -53.1 -48.68 67.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.25 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.02 -45.83 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -65.01 -47.85 76.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.6 -47.67 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.58 -57.2 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -39.29 -58.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.72 -51.92 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' TRP . . . . . 0.525 ' CZ3' ' HE2' ' A' ' 569' ' ' MET . 52.9 t90 -53.64 -42.39 67.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 528' ' ' TYR . 7.5 ttt-85 -56.2 -53.33 58.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -59.37 -40.63 87.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -61.24 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' THR . . . . . 0.472 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 94.9 m -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.91 -59.78 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -55.88 -45.53 78.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -63.38 -27.33 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 525' ' ' ASP . 73.9 mm-40 -95.64 19.05 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 524' ' ' GLU . 4.7 t0 36.7 34.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' GLU . . . . . 0.407 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 8.2 tp10 -120.73 162.18 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.5 t -69.2 149.12 48.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 517' ' ' ARG . 46.2 m-85 -55.82 -60.33 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -42.77 -61.2 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.477 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 529' ' ' GLY . 58.4 t80 -36.74 -61.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -43.0 -67.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.71 108.52 3.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.503 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.0 Cg_endo -69.79 -173.96 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 535' ' ' HIS . 4.5 m120 -73.07 -67.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.503 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 3.8 p80 -35.64 -46.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 37.0 tpp -67.57 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 15.0 ttm -39.22 -63.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 28.9 mt -48.4 -59.48 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -40.73 -51.27 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.4 -56.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -48.82 -32.28 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -81.78 -41.97 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.58 -40.45 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.0 mt 54.45 53.27 9.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.649 0.738 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 102.7 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.471 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -52.49 -30.91 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.471 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 12.2 mt-10 -96.79 157.77 34.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -22.73 31.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.1 -38.88 92.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.83 -19.38 55.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.95 -18.62 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 111.149 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . 0.454 ' CG2' HG22 ' A' ' 558' ' ' VAL . 42.9 mt -91.28 -35.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 555' ' ' CYS . 1.4 p -50.33 -44.74 54.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 554' ' ' CYS . 2.2 p -85.51 138.43 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -162.11 107.08 1.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 176.93 30.83 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.365 -0.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 552' ' ' ILE . 48.2 t -92.99 131.6 32.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 160.35 50.02 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 562' ' ' VAL . 86.1 mt -96.65 -70.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 561' ' ' LEU . 53.4 t -35.43 -35.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 561' ' ' LEU . 5.2 tpt180 -78.13 -48.6 15.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 561' ' ' LEU . 22.0 tt0 -60.16 -50.75 72.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -98.12 21.6 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.7 tp -49.61 -36.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.38 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.63 -51.12 70.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' MET . . . . . 0.525 ' HE2' ' CZ3' ' A' ' 516' ' ' TRP . 49.4 mtp -51.27 -52.77 41.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.97 -47.51 61.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 73.1 mt -53.55 -48.57 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 40.5 mt -53.48 -52.9 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.3 mm -52.74 -41.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.4 mm-40 -68.12 -32.32 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -68.93 -30.86 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -88.09 -17.31 31.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -96.62 -26.43 15.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -54.0 -41.4 67.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.92 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.7 m -54.24 -47.56 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 39.2 t -164.78 109.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 174.62 109.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 1.6 t -71.29 139.39 49.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 70.6 m -89.08 42.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . 0.41 ' C ' ' HD2' ' A' ' 483' ' ' LYS . . . -46.41 -96.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 482' ' ' GLY . 0.7 OUTLIER -139.31 155.62 72.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 84.49 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 35.2 mt -73.31 91.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.738 ' CZ ' ' CE2' ' A' ' 514' ' ' PHE . 81.5 t80 -119.28 78.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.2 t -174.12 127.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.59 49.12 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 490' ' ' SER . 18.0 mt-10 44.96 43.24 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 489' ' ' GLU . 35.0 p 36.1 46.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 118.9 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.68 -34.24 74.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.56 -47.79 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 8.4 tp -52.92 -42.06 65.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.537 ' CE1' HD22 ' A' ' 507' ' ' LEU . 5.0 t80 -71.29 -53.3 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -99.05 45.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -78.26 -45.23 23.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -124.17 153.1 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -52.05 177.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp 60.22 54.15 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -37.32 149.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 75.2 mt -69.68 140.47 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -87.94 -176.84 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.0 m -46.29 -67.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' A' ' 581' ' ' LEU . 95.3 mt-30 -55.14 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 505' ' ' GLN . 55.6 mt-30 -36.93 -46.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.537 HD22 ' CE1' ' A' ' 495' ' ' TYR . 21.7 mt -62.01 -49.39 76.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 42.6 m -48.44 -51.56 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . 0.419 ' N ' ' HB3' ' A' ' 576' ' ' ALA . . . -62.45 -39.43 93.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.85 -47.41 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -68.35 -44.89 74.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.37 -45.69 69.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.73 -52.15 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.738 ' CE2' ' CZ ' ' A' ' 486' ' ' PHE . 6.3 t80 -47.74 -61.03 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.33 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.583 ' NH2' ' CE1' ' A' ' 514' ' ' PHE . 35.6 ttp180 -53.59 -45.29 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 2.4 t70 -61.73 -53.85 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 6.1 tmmm? -49.34 -62.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 51.9 m -62.04 -39.33 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 517' ' ' ARG . . . -47.34 -51.0 20.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' A' ' 518' ' ' ASP . 1.2 mpp_? -68.27 -45.55 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -53.3 -43.56 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -80.74 1.81 28.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 25.0 t0 54.31 45.0 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -134.87 169.11 17.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.0 p -69.24 165.34 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -69.35 -56.22 8.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -48.1 -56.34 9.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -40.1 -48.02 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 93.3 t -56.88 -67.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.58 119.7 5.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.73 177.01 5.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -72.51 -59.37 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -45.62 -53.55 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.442 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.7 ttm -58.75 -56.9 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.3 ttm -44.62 -42.48 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.61 -60.39 2.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -38.6 -45.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 51.9 mt -67.05 -56.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.54 -30.9 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 19.7 mt-10 -80.63 -34.84 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.31 -46.54 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.481 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 51.5 mt 52.06 52.11 10.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.74 113.72 3.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.74 -26.34 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 3.2 mm-40 -101.85 157.22 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -20.78 34.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -64.33 -43.12 95.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.79 -26.08 38.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.8 mp -82.64 -30.0 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 558' ' ' VAL . 53.3 mt -76.83 -36.9 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.84 79.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.4 p -41.82 -36.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.4 p -102.56 151.96 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -165.89 106.96 0.73 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.0 15.78 Favored 'Cis proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.359 -0.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 552' ' ' ILE . 59.5 t -99.76 133.46 21.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 160.98 47.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.85 14.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 564' ' ' GLN . 86.4 mt -96.59 -73.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 561' ' ' LEU . 90.1 t -37.34 -36.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -77.12 -41.21 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 561' ' ' LEU . 10.5 tt0 -68.22 -53.36 25.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -94.56 24.77 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 7.3 tp -50.8 -43.38 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -52.32 -45.45 65.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.25 -53.23 58.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 52.4 mmm -51.35 -50.26 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.408 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.3 t-160 -51.97 -53.83 36.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 75.9 mt -48.55 -48.27 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.87 -53.36 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.96 -40.82 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.49 -32.2 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.99 -25.9 63.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.419 ' HB3' ' N ' ' A' ' 509' ' ' ALA . . . -88.06 -26.89 22.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -87.52 -37.15 17.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -48.06 -42.5 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.15 143.33 88.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 170.18 17.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.425 ' CD2' ' HG3' ' A' ' 505' ' ' GLN . 11.5 mt -97.44 104.83 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 583' ' ' LYS . 1.5 mm? -43.66 152.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 582' ' ' LEU . 28.9 mmtp -36.73 121.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 23.4 t -163.11 128.17 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.87 106.85 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 12.0 p -106.95 150.52 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -146.67 120.74 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -153.38 165.44 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 147.65 100.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 32.3 m -145.44 143.38 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 125.31 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -158.97 149.11 19.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 29.0 p -172.83 154.2 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 7.0 m -138.1 177.77 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 178.37 83.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.68 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 53.9 p -174.16 150.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -102.07 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.3 m -134.93 124.71 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 40.5 m -153.74 168.27 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 100.93 146.96 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 6.9 t -174.35 164.51 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 47.3 t -89.94 -57.95 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 139.06 95.83 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.85 148.13 64.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 485' ' ' ILE . 54.1 Cg_endo -69.73 166.13 28.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 484' ' ' PRO . 58.3 mt -33.99 149.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 518' ' ' ASP . 8.7 p90 -98.15 115.8 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 488' ' ' ASP . 64.5 m -167.27 150.89 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . 0.469 ' HA ' ' NE2' ' A' ' 511' ' ' GLN . 9.5 t70 -33.76 -49.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.44 75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 488' ' ' ASP . 4.2 m -139.56 -177.35 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.33 138.24 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -75.71 -10.46 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.47 ' N ' HD13 ' A' ' 492' ' ' LEU . 28.6 tt0 -47.27 -51.84 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 5.3 mp -49.28 -46.38 46.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.55 -44.94 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.474 ' O ' ' CD ' ' A' ' 496' ' ' ARG . 0.0 OUTLIER -94.11 30.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -74.7 -45.08 46.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -93.55 151.82 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -54.53 -59.3 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -63.78 138.88 58.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -74.78 165.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 66.4 mt -110.06 154.65 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 504' ' ' THR . 27.8 t30 -96.16 160.82 14.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 503' ' ' ASN . 87.3 m -36.11 -71.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.465 ' NE2' HD23 ' A' ' 581' ' ' LEU . 68.5 mt-30 -49.21 -54.34 17.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -42.97 -43.5 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.11 -52.29 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 20.6 m -50.68 -38.85 49.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.547 ' CE1' ' HE1' ' A' ' 537' ' ' MET . 82.8 t80 -55.32 -43.6 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 488' ' ' ASP . 13.1 mm100 -60.29 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.18 -50.85 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 32.5 mt -59.7 -45.54 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.43 -43.6 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.97 12.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.458 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 26.7 t90 -49.04 -53.1 21.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.458 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 14.9 ttp180 -51.61 -68.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.559 ' HB3' ' CD2' ' A' ' 486' ' ' PHE . 30.8 t0 -54.05 -28.92 41.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -67.26 -67.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.438 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 33.8 m -54.62 -20.28 7.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -49.64 -47.52 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.06 -53.14 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -50.32 -45.97 55.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -76.42 -21.35 56.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.97 48.31 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . 0.537 ' OE2' ' CD2' ' A' ' 530' ' ' TYR . 7.7 tt0 -135.99 171.44 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 t -59.19 154.52 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 529' ' ' GLY . 52.5 m-85 -63.82 -58.3 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -38.23 -56.06 1.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.537 ' CD2' ' OE2' ' A' ' 526' ' ' GLU . 6.2 t80 -45.29 -58.23 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.428 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 90.3 t -47.28 -63.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.9 tp -164.62 117.86 0.98 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.436 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.3 Cg_endo -69.77 177.85 5.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.9 -60.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -43.75 -47.36 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.436 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 52.8 ttm -66.09 -56.09 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' MET . . . . . 0.547 ' HE1' ' CE1' ' A' ' 510' ' ' PHE . 41.7 ttp -46.58 -47.6 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.99 -54.6 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -40.63 -51.7 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.44 -50.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -51.73 -36.22 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.85 -38.07 46.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -62.03 -41.7 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 33.5 mt 55.05 51.9 7.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.76 113.77 3.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 13.1 pttm -57.16 -42.88 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.28 160.3 37.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -18.85 36.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -70.07 -33.34 71.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.58 72.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.94 -33.22 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 558' ' ' VAL . 57.6 mt -75.86 -32.85 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.77 74.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.1 m -62.49 -61.42 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.11 119.73 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 556' ' ' ASN . 3.4 p30 -149.32 108.86 3.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 173.86 42.91 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 -0.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 552' ' ' ILE . 53.7 t -92.4 129.99 39.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . 0.474 ' HG2' ' CG2' ' A' ' 562' ' ' VAL . 53.8 Cg_endo -69.73 160.4 49.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.49 10.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 98.5 mt -102.51 -63.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 559' ' ' PRO . 86.1 t -44.62 -37.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -74.26 -40.05 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.63 -59.05 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -87.06 19.01 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 567' ' ' ASN . 7.4 tp -47.9 -47.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . 0.423 ' N ' ' CG2' ' A' ' 566' ' ' ILE . 12.1 m120 -48.06 -52.52 19.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.73 -55.15 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 44.4 mtp -48.11 -47.7 34.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.0 t-160 -54.88 -50.34 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.76 -47.18 64.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.52 -47.19 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.1 -37.39 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 8.3 mm-40 -69.54 -37.82 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.02 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 546' ' ' LYS . 75.0 mtp180 -72.43 -38.92 68.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.56 -46.07 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.3 ptm -77.49 147.31 75.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.27 68.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.41 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 581' ' ' LEU . 1.4 mm? -73.59 102.95 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 21.9 mt -76.12 51.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -159.45 142.45 14.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.8 m -111.08 91.03 3.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -156.0 145.4 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 587' ' ' ALA . 8.4 p -117.59 -15.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 586' ' ' VAL . . . -36.13 -46.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -41.52 115.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -132.48 -50.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 4.4 t 37.35 51.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.97 107.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -85.84 132.9 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.7 t -100.93 175.7 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 51.0 p -137.56 171.82 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -105.37 140.43 15.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.42 21.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.368 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -137.4 113.86 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 55.5 p -125.91 42.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.2 m -110.66 172.51 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.888 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 95.8 p -61.1 -45.43 94.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 58.62 155.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 5.6 t -92.88 82.94 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 28.8 t -73.59 -56.35 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 122.84 80.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -128.42 155.44 78.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.78 41.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 60.1 mt -92.36 -49.2 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 518' ' ' ASP . 23.3 t80 -90.55 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 488' ' ' ASP . 10.1 t -57.59 -175.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . 0.406 ' N ' ' OG1' ' A' ' 487' ' ' THR . 22.1 t70 -172.07 157.05 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -85.24 -60.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 69.2 m -72.01 91.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 492' ' ' LEU . 3.1 p90 -125.46 -43.46 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.472 ' N ' ' CG ' ' A' ' 491' ' ' TYR . 7.7 tp -45.01 -42.6 8.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 494' ' ' LEU . 10.0 pt-20 -46.78 -40.76 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 493' ' ' GLU . 22.8 tp -58.89 -50.49 73.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.5 ' CD2' ' HG3' ' A' ' 496' ' ' ARG . 22.3 t80 -47.86 -56.02 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.5 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 6.7 mtp-105 -97.41 46.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -103.65 94.19 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 44.21 45.82 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -145.17 152.07 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -68.6 175.42 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -75.42 159.08 31.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 58.1 mt -125.83 146.79 49.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . 0.63 ' ND2' ' H ' ' A' ' 506' ' ' GLN . 1.8 p-10 -83.4 -178.03 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 56.3 m -57.36 -49.56 75.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -65.26 -49.29 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . 0.63 ' H ' ' ND2' ' A' ' 503' ' ' ASN . 45.2 mt-30 -52.15 -45.0 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.59 -54.12 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 32.6 m -45.48 -54.76 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -55.71 -47.81 76.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.06 -51.58 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -59.22 -47.45 85.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.2 mt -53.67 -50.36 65.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.14 -43.52 98.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.01 -53.49 26.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.63 92.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.422 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 47.3 t90 -55.53 -58.63 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.422 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 22.5 ttp180 -53.77 -53.21 55.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 486' ' ' PHE . 34.1 t0 -53.23 -42.25 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -64.39 -59.79 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 18.6 m -55.61 -34.92 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -41.92 -53.81 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -72.1 -40.8 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -52.27 -44.74 65.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 525' ' ' ASP . 81.4 mm-40 -100.84 21.3 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 524' ' ' GLU . 43.5 m-20 34.81 43.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . 0.511 ' HG3' ' CE1' ' A' ' 530' ' ' TYR . 18.8 mm-40 -112.03 171.67 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 30.1 p -92.62 163.72 13.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.92 -59.42 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.1 -57.13 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.511 ' CE1' ' HG3' ' A' ' 526' ' ' GLU . 50.7 t80 -49.53 -63.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 97.9 t -49.96 -66.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.0 tp -158.08 110.14 1.74 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.83 55.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -54.61 -51.53 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.6 p-80 -46.19 -49.82 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.682 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 47.3 tpp -64.75 -49.4 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.1 ttm -51.66 -48.44 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.98 -60.4 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -39.99 -45.2 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.7 -56.06 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -47.86 -35.74 10.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -80.71 -39.11 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' ' 577' ' ' ARG . 47.5 mt 58.56 54.66 5.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.604 0.716 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.448 ' N ' HG21 ' A' ' 573' ' ' ILE . 53.8 Cg_endo -69.73 105.44 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -56.58 -30.05 62.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.415 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 5.6 mm-40 -99.02 159.37 30.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 547' ' ' GLU . 53.9 Cg_endo -69.73 -22.82 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.739 2.293 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.65 -31.03 36.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.4 ' O ' ' SG ' ' A' ' 554' ' ' CYS . 5.3 mp -76.71 -20.6 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 60.4 mt -90.86 -38.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 30.3 p -50.22 -28.85 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 67.6 m -95.67 136.57 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -162.42 105.02 1.09 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 176.33 32.99 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.326 -0.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.78 123.86 42.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . 0.407 ' HG2' ' CG2' ' A' ' 562' ' ' VAL . 54.1 Cg_endo -69.76 168.92 20.18 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -38.48 7.81 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 564' ' ' GLN . 65.1 mt -60.78 -67.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.407 ' CG2' ' HG2' ' A' ' 559' ' ' PRO . 96.3 t -39.63 -37.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.17 -34.94 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' LEU . 9.5 tt0 -69.55 -54.61 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -93.17 23.96 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 567' ' ' ASN . 6.7 tp -55.0 -28.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . 0.466 ' N ' HG21 ' A' ' 566' ' ' ILE . 8.2 m-20 -66.85 -47.33 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.39 -49.15 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.7 mtp -52.87 -52.09 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -53.1 -47.04 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.26 -45.2 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 60.5 mt -57.32 -55.75 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 545' ' ' PRO . 38.8 mm -49.21 -38.48 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.78 -31.44 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.77 -23.41 60.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.43 -25.58 23.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.481 ' NE ' ' O ' ' A' ' 544' ' ' LEU . 5.5 mtt-85 -92.23 -40.52 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.2 -39.6 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -72.57 140.76 81.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.8 6.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 582' ' ' LEU . 11.2 mt -105.12 102.14 11.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 581' ' ' LEU . 3.6 mm? -37.06 -47.2 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -146.23 132.0 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 86.4 p -174.7 123.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.53 98.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . 0.447 HG21 ' N ' ' A' ' 587' ' ' ALA . 8.6 p -47.14 140.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 586' ' ' VAL . . . -118.59 168.03 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -82.3 165.89 19.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -122.04 -132.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 591' ' ' LYS . 87.7 t -103.47 136.84 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 590' ' ' VAL . 35.9 tptt -75.76 110.15 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 593' ' ' SER . 38.9 tttp -65.77 -51.69 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 592' ' ' LYS . 23.1 t -35.52 108.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 48.8 p -119.6 157.24 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -110.18 68.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 597' ' ' SER . 53.9 Cg_endo -69.8 3.43 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 596' ' ' PRO . 6.6 m -31.14 134.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.1 p -48.32 176.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 39.0 t -106.37 83.96 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 61.3 p -120.91 101.84 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -153.58 37.94 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 68.5 m -89.42 165.99 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 29.6 t -149.96 141.53 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 128.81 126.05 2.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -83.12 150.17 60.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.517 0.675 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.81 26.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.77 108.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 514' ' ' PHE . 17.0 m-85 -85.0 -59.72 2.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 19.4 m 41.87 25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 486' ' ' PHE . 5.1 t70 61.26 46.02 8.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -173.15 165.93 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 35.8 t -120.58 156.96 30.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -154.54 171.81 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 494' ' ' LEU . 9.4 mp -72.47 -47.05 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 492' ' ' LEU . 2.7 tp10 -36.15 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 492' ' ' LEU . 27.3 tp -91.82 -48.86 6.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.542 ' CE1' HD22 ' A' ' 507' ' ' LEU . 2.1 t80 -55.84 -52.56 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.44 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 13.1 mtt-85 -94.16 48.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -63.09 -62.84 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 499' ' ' LYS . 3.9 tp-100 -81.96 40.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 498' ' ' GLN . 35.1 mttp 34.41 39.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -124.13 146.5 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -100.25 99.93 10.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.43 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 66.6 mt -59.99 156.74 14.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -82.6 176.09 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 19.1 m -54.08 -65.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -54.01 -45.77 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -54.46 -46.42 73.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 495' ' ' TYR . 48.9 mt -57.86 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.407 ' CG2' ' HA ' ' A' ' 576' ' ' ALA . 54.9 m -50.73 -56.0 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -54.07 -51.18 64.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 74.6 t80 -50.05 -53.99 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -52.29 -53.29 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 37.0 mt -52.42 -53.86 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 514' ' ' PHE . 38.4 mt -54.28 -65.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.637 ' CZ ' ' CE1' ' A' ' 486' ' ' PHE . 26.6 t80 -34.35 -54.09 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.38 -62.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -43.96 -42.62 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.463 ' CZ ' ' HB ' ' A' ' 531' ' ' VAL . 2.8 ttt-85 -57.01 -64.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.457 ' HB2' ' CE1' ' A' ' 486' ' ' PHE . 26.3 t0 -40.88 -50.05 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -50.83 -52.06 45.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 23.3 m -60.73 -36.18 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -68.53 -21.29 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.55 -31.04 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . 0.469 ' CG ' ' OE2' ' A' ' 524' ' ' GLU . 6.4 ptm180 -91.26 -38.09 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.469 ' OE2' ' CG ' ' A' ' 523' ' ' ARG . 0.2 OUTLIER -70.85 -35.57 72.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 12.1 t70 72.0 51.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 530' ' ' TYR . 22.6 mt-10 -129.63 174.14 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.1 p -64.88 168.32 6.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.455 ' O ' ' NH2' ' A' ' 517' ' ' ARG . 11.1 m-85 -83.84 -22.28 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -97.24 33.57 5.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.453 ' CE2' ' CD ' ' A' ' 526' ' ' GLU . 5.2 t80 -124.64 -67.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.463 ' HB ' ' CZ ' ' A' ' 517' ' ' ARG . 45.4 t -47.23 -51.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.3 tp -156.51 105.01 2.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.9 Cg_endo -69.73 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.83 -49.67 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.54 ' CG ' ' N ' ' A' ' 536' ' ' MET . 14.6 p-80 -54.52 -48.43 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.54 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 34.9 ttm -63.75 -55.45 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 22.8 ttm -48.53 -58.91 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.0 mt -53.17 -56.86 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -39.36 -60.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.83 -57.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.88 -35.92 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.43 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 55.5 mt-10 -81.94 -39.83 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -55.32 -49.06 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 38.8 mt 62.67 49.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.81 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -50.09 -27.7 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.3 mt-10 -103.4 160.0 27.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.3 Cg_endo -69.76 -27.68 26.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -55.82 -30.68 57.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 4.9 mp -73.54 -23.89 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.422 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -85.06 -33.17 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.9 m -67.27 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.8 p -60.32 115.08 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -142.39 108.63 5.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 177.55 28.38 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.369 -0.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 552' ' ' ILE . 46.2 t -93.34 124.84 56.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.46 56.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.68 8.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 564' ' ' GLN . 64.5 mt -100.34 -69.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 78.4 t -39.67 -36.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.02 -37.07 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 561' ' ' LEU . 24.9 tt0 -71.81 -52.24 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -90.85 21.68 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.5 tp -53.39 -31.18 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.1 -48.88 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.86 -50.81 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 60.2 mtp -52.9 -47.99 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -55.07 -48.9 72.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 82.8 mt -52.53 -45.39 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.25 -49.54 75.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.47 -43.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -62.61 -39.17 92.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.55 -43.15 99.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.407 ' HA ' ' CG2' ' A' ' 508' ' ' THR . . . -65.41 -35.61 81.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 13.8 mtp-105 -78.94 -31.84 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.85 -49.21 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -74.0 143.17 80.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.514 0.673 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.53 4.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.05 121.77 42.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 16.4 mt -105.76 102.34 11.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 584' ' ' SER . 0.4 OUTLIER -171.02 174.63 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 583' ' ' LYS . 48.1 t -35.67 -46.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.55 49.95 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.66 144.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -44.52 -55.7 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . 38.29 41.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 590' ' ' VAL . . . -45.58 97.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.439 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 589' ' ' GLY . 0.7 OUTLIER -31.58 -51.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 0.0 111.163 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.85 171.31 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -101.32 -58.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.3 m 48.07 45.02 19.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 19.8 m -114.1 94.96 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -89.33 162.4 30.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 40.7 m -85.38 162.55 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 78.8 p -51.42 160.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 71.2 p -155.56 117.42 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.4 m -122.23 112.04 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 115.76 -159.97 13.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 3.2 t -132.54 -51.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 482' ' ' GLY . 78.8 p -141.09 173.63 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 481' ' ' SER . . . -37.31 -62.95 0.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -143.32 154.6 60.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.84 66.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.387 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 61.2 mt -125.55 112.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 518' ' ' ASP . 8.4 t80 46.17 48.24 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 2.9 t -71.93 73.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -125.38 132.56 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 490' ' ' SER . 55.0 tt0 -50.03 160.71 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 489' ' ' GLU . 92.3 p -50.04 153.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.428 ' O ' ' C ' ' A' ' 492' ' ' LEU . 5.7 p90 -44.53 -41.99 6.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 491' ' ' TYR . 12.3 tp -35.57 -47.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 492' ' ' LEU . 27.0 tt0 -38.22 -49.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.33 -51.77 27.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -40.0 -51.13 2.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 497' ' ' LYS . 73.0 mtp180 -46.66 -50.18 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 496' ' ' ARG . 59.9 mttt -35.67 -68.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.86 156.47 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 499' ' ' LYS . 0.0 OUTLIER -95.88 -54.55 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -43.75 119.84 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 501' ' ' HIS . 0.2 OUTLIER -71.76 128.67 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.01 154.45 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -86.4 169.87 12.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 84.9 m -44.9 -60.89 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.451 ' HG3' ' CD2' ' A' ' 581' ' ' LEU . 76.4 mt-30 -57.22 -51.51 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -44.19 -45.89 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.5 mt -64.91 -53.48 45.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 25.3 m -45.28 -54.04 7.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.64 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -45.24 -41.31 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . 0.421 ' HG3' ' CD1' ' A' ' 491' ' ' TYR . 4.8 tt0 -65.81 -52.52 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 46.8 mt -49.79 -48.95 50.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.97 -48.08 82.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -47.87 -64.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -47.58 -47.56 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -57.43 -50.14 73.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -48.28 -50.65 29.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 8.9 t70 -58.09 -47.83 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 520' ' ' THR . 2.9 tmmm? -49.17 -61.52 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.457 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.9 m -64.56 -37.67 88.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.19 -36.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.81 -54.77 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -49.68 -47.98 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.8 -34.33 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 70.0 42.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -128.79 166.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.6 t -62.17 132.58 53.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 529' ' ' GLY . 60.8 m-85 -43.08 -52.46 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.86 -51.84 2.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 561' ' ' LEU . 2.6 t80 -54.43 -55.61 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.415 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 88.2 t -47.72 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 11.9 tp -164.31 108.47 0.88 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.73 -173.06 0.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -74.23 -52.67 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 7.8 p80 -48.21 -50.76 28.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.66 -60.59 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 5.4 ttp -45.01 -37.79 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.41 -47.72 66.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -49.62 -46.22 49.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 573' ' ' ILE . 11.0 mt -72.66 -53.09 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.33 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -83.94 -44.91 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.65 -53.57 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 26.9 mt 58.07 51.54 4.47 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.82 135.88 31.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 8.1 ptmm? -67.0 -42.31 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.4 160.61 36.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.78 -7.0 19.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.73 -50.5 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.43 -31.78 9.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -73.56 -29.92 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.438 ' CG2' HG21 ' A' ' 558' ' ' VAL . 54.9 mt -77.45 -33.86 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -69.81 -45.89 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.46 ' SG ' ' CG1' ' A' ' 540' ' ' ILE . 3.9 p -39.15 -30.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 553' ' ' ALA . 0.9 OUTLIER -103.86 155.22 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -173.37 106.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 177.86 27.37 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.343 -0.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 552' ' ' ILE . 92.5 t -100.61 124.01 43.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.25 38.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.3 9.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 530' ' ' TYR . 76.1 mt -93.36 -70.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 94.3 t -40.59 -38.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -72.38 -46.1 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.49 -56.72 15.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -84.31 14.31 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.8 tp -47.5 -33.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.32 -52.36 58.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.18 -50.22 74.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.0 mtp -52.09 -55.09 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.6 t-160 -48.53 -49.38 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 92.7 mt -52.7 -47.0 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.8 mt -55.58 -44.07 76.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 540' ' ' ILE . 30.3 mm -58.54 -47.23 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -60.85 -34.02 73.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.68 -47.28 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.5 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 578' ' ' GLU . 71.5 mtp180 -76.36 -41.11 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 577' ' ' ARG . 7.3 mt-10 -34.22 -53.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -70.66 142.53 88.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.539 0.685 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.9 2.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 583' ' ' LYS . 13.8 mt -110.71 107.35 16.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 583' ' ' LYS . 3.2 mm? -46.24 90.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 581' ' ' LEU . 36.1 pttt 35.25 51.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 3.2 t -88.14 -47.7 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -89.57 103.36 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.42 142.23 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -172.57 142.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -72.42 117.66 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 125.73 -55.4 0.73 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.11 135.38 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.405 . . . . 0.0 111.069 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -62.8 163.45 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.07 144.55 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.2 t -140.1 125.97 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 6.2 m -163.56 176.24 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 150.99 -86.34 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 597' ' ' SER . 53.8 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 596' ' ' PRO . 3.3 t -34.56 -57.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 85.7 p -66.27 94.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 47.1 m -120.18 42.25 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 7.3 t -98.54 144.83 27.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 136.75 67.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 53.5 p -118.03 40.46 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 44.6 t -82.18 47.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -165.35 133.7 3.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -58.38 155.47 27.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.4 40.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 486' ' ' PHE . 4.3 mp -103.16 151.59 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 30.1 m-85 60.9 49.93 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 87.3 m -108.25 -59.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -106.17 -58.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -174.94 154.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.3 m -40.55 110.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -81.78 160.6 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 492' ' ' LEU . 3.8 mm? -81.97 -43.93 17.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 492' ' ' LEU . 26.5 tt0 -38.02 -41.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 21.5 tp -67.6 -48.02 68.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -64.53 -61.62 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.01 30.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -50.86 -48.93 60.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -140.39 167.04 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -50.86 -176.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 58.92 48.38 11.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -47.14 169.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 38.3 mt -87.51 143.58 27.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -86.81 -175.0 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 5.8 m -49.26 -63.9 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.02 -67.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -41.22 -46.75 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.03 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.7 m -49.23 -46.71 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -69.23 -39.19 78.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 510' ' ' PHE . 3.6 t80 -55.63 -42.69 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -71.36 -43.66 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.3 -47.99 83.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.18 -55.57 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 33.7 t80 -44.73 -61.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -55.37 -51.08 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 7.2 t90 -50.48 -42.54 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.481 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 16.7 ttm180 -61.07 -62.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 0.2 OUTLIER -40.15 -44.9 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.14 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 29.3 m -58.15 -29.1 65.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.78 -54.53 46.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -59.21 -47.72 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -57.8 -45.08 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -81.81 4.34 22.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.98 39.66 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.68 167.45 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.8 t -71.87 137.95 47.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -43.14 -55.82 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -60.8 -53.47 45.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 530' ' ' TYR . 6.0 t80 -40.09 -48.83 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.44 HG12 ' CG ' ' A' ' 517' ' ' ARG . 98.2 t -54.23 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . 0.481 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 12.4 tp -146.26 118.85 5.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.476 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 164.23 35.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 535' ' ' HIS . 73.3 m-20 -68.39 -66.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 9.0 p80 -35.36 -48.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.452 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.9 ttm -59.64 -60.52 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 50.5 ttp -42.98 -50.8 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.6 mt -51.95 -59.27 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -43.95 -41.94 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 22.9 mt -70.66 -57.62 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.61 -27.56 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -89.0 -24.72 22.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -80.02 -42.45 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.45 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 60.8 mt 50.94 53.61 14.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.475 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.75 113.74 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -47.67 -52.38 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -81.13 155.62 72.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.663 0.744 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.09 -39.91 75.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.26 -25.97 63.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.7 mp -80.68 -20.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.57 -31.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.91 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 7.0 p -48.9 -34.05 11.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.17 142.34 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -164.42 107.51 0.87 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 176.98 30.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.331 -0.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 37.2 t -97.1 126.87 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.68 48.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.47 12.08 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 564' ' ' GLN . 78.4 mt -94.87 -74.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 561' ' ' LEU . 71.7 t -36.77 -38.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -75.16 -42.13 56.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.5 tt0 -65.02 -50.96 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -97.97 22.5 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.3 tp -51.55 -40.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -54.38 -53.42 54.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.569 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.9 tp10 -56.77 -54.08 50.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 54.4 mtp -50.83 -51.24 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.45 -52.54 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.5 mt -49.09 -52.97 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 36.6 mt -50.06 -50.5 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' ' 574' ' ' GLN . 17.6 mm -51.72 -46.16 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 574' ' ' GLN . 2.8 mm-40 -66.1 -35.9 81.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.34 -22.21 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -92.16 -39.83 11.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -35.92 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -45.25 -50.61 11.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.71 141.07 84.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.697 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.07 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 20.0 mt -98.53 119.4 37.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.01 93.96 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -168.9 147.48 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 9.1 t -97.46 130.18 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.64 138.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -74.62 116.49 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -85.59 128.0 34.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -91.23 -119.76 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 13.3 p -125.59 156.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.363 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -131.14 169.26 16.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 593' ' ' SER . 0.7 OUTLIER -49.66 148.04 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' SER . . . . . 0.42 ' N ' ' HD3' ' A' ' 592' ' ' LYS . 42.3 t -143.28 154.71 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 2.6 t -172.84 170.36 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' ' 596' ' ' PRO . . . 153.61 -62.78 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 595' ' ' GLY . 53.1 Cg_endo -69.82 -36.55 10.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.302 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.1 m -39.61 121.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 73.2 m -67.61 117.7 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 20.9 m -139.32 130.0 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 2.5 m -127.23 124.55 39.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 150.22 147.91 4.65 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 22.9 t -48.11 146.65 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 86.7 p -137.78 130.97 30.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -86.56 41.84 3.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -67.89 144.21 97.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 165.51 30.73 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 486' ' ' PHE . 22.8 mt -119.26 146.76 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.791 ' CE1' ' CZ ' ' A' ' 514' ' ' PHE . 28.6 m-85 -114.16 -174.78 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 486' ' ' PHE . 10.5 t 47.64 25.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -163.05 153.8 16.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -42.07 136.67 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 79.6 p -73.6 163.97 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.66 135.91 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 495' ' ' TYR . 22.6 mt -46.07 -46.6 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -39.82 -36.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -34.14 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.507 ' N ' ' O ' ' A' ' 492' ' ' LEU . 13.7 t80 -77.95 -62.63 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' LYS . 0.4 OUTLIER -82.05 10.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' ARG . 35.7 tptt -33.3 -41.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -98.35 167.1 11.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 9.3 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -129.81 138.71 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -83.38 171.13 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 27.1 mt -110.42 151.01 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -89.07 -178.6 5.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 9.3 m -50.57 -61.14 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.411 ' HG3' ' CD1' ' A' ' 581' ' ' LEU . 43.5 mt-30 -53.65 -53.12 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -50.21 -53.1 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.12 -52.97 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.1 m -51.35 -47.92 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.37 -57.77 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 48.3 t80 -43.13 -43.96 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.17 -57.34 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 55.1 mt -41.4 -48.41 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.58 -58.4 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.791 ' CZ ' ' CE1' ' A' ' 486' ' ' PHE . 36.9 t80 -37.44 -61.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -52.15 -55.23 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -49.38 -47.32 47.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 14.5 ttt-85 -52.69 -51.38 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -64.07 -44.63 91.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.5 OUTLIER -52.65 -51.84 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 92.5 m -75.53 -33.5 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.42 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -54.63 -51.92 63.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.79 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -72.35 -28.18 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 66.06 48.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -132.51 173.89 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -63.3 128.74 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.409 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 55.0 m-85 -43.41 -51.11 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -54.87 -48.66 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -43.95 -47.31 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 63.8 t -53.14 -65.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.19 119.89 2.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.577 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.3 Cg_endo -69.82 176.66 6.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -72.57 -55.46 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.577 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 13.3 p80 -46.27 -50.3 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 555' ' ' CYS . 42.0 tpp -61.13 -57.94 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttm -45.5 -50.99 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -58.46 -56.4 22.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 554' ' ' CYS . 1.7 tmtp? -44.72 -39.44 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.03 -57.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -43.48 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.45 -38.27 68.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -62.05 -51.91 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 58.8 mt 60.32 52.58 3.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.77 114.52 3.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.471 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 16.2 ptmt -56.18 -33.86 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -95.71 159.32 32.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -22.08 32.7 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.405 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -61.59 -42.4 98.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -56.56 -25.74 50.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.1 mp -81.42 -19.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 558' ' ' VAL . 63.8 mt -90.88 -37.77 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 539' ' ' LYS . 30.3 p -46.55 -34.97 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 16.4 m -87.57 109.38 19.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 557' ' ' PRO . 37.8 t30 -135.58 102.7 10.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 555' ' ' CYS . 53.6 Cg_endo -69.74 -168.48 4.42 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.316 -0.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 552' ' ' ILE . 89.5 t -107.77 125.78 31.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.41 42.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.57 36.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.56 -70.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 97.8 t -37.52 -44.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -69.38 -43.65 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -62.45 -56.09 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.02 22.23 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -52.7 -34.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.95 -50.31 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.58 -51.49 69.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.2 mtp -51.2 -51.97 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -52.03 -51.08 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 76.5 mt -50.15 -47.12 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.12 -52.73 62.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 45.9 mm -53.37 -37.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.1 mm-40 -72.62 -34.98 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -66.83 -28.77 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -89.77 -36.54 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -75.18 -34.12 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.02 -38.13 87.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 17.9 ptm -78.44 144.42 65.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.87 3.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.411 ' CD1' ' HG3' ' A' ' 505' ' ' GLN . 6.3 mp -112.41 101.81 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.53 -61.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -76.33 86.22 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 82.1 p -151.92 124.07 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.65 132.37 54.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.82 -15.37 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -50.5 106.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -102.67 174.92 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -135.76 168.25 23.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 591' ' ' LYS . 97.5 t -143.02 138.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 111.11 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.459 ' N ' HG11 ' A' ' 590' ' ' VAL . 5.2 tmtt? -113.09 138.81 49.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -142.59 138.05 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.3 t -120.95 161.5 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 73.1 m -140.43 175.9 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -127.72 143.93 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -173.6 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.365 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 1.3 t -90.62 158.21 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 73.8 m -108.16 166.64 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.434 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 35.5 t -41.75 139.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 46.8 p -67.58 151.86 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -63.93 155.07 45.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 69.2 m -46.41 -49.96 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 73.7 m -133.61 113.7 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -123.6 -57.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -48.6 146.88 4.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 485' ' ' ILE . 53.8 Cg_endo -69.76 80.01 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.297 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 486' ' ' PHE . 37.7 mt 34.08 35.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 518' ' ' ASP . 39.6 t80 34.26 44.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 8.9 t -127.4 126.98 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -166.16 131.89 2.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -88.03 37.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.6 m -124.77 47.57 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.424 ' CE1' ' HG ' ' A' ' 492' ' ' LEU . 42.2 p90 -88.33 -42.58 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' ' 491' ' ' TYR . 31.9 mt -42.42 -30.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -63.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.76 -28.09 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.1 -38.65 79.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -95.88 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -109.18 -38.64 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.71 142.04 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.98 79.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -152.98 154.41 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -125.48 110.74 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 51.7 mt -93.08 146.98 23.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -98.15 178.96 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.441 ' CG2' ' CE ' ' A' ' 579' ' ' MET . 88.3 m -40.88 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -50.91 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -39.03 -60.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 39.1 mt -51.72 -40.99 61.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 39.4 m -57.7 -51.94 67.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.12 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.64 -56.11 22.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.31 -48.74 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 64.1 mt -51.97 -45.63 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 47.3 mt -57.96 -51.41 69.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.416 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 41.3 t80 -48.48 -59.59 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.53 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -63.62 -39.49 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 28.9 ttp85 -55.69 -41.29 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 7.9 t0 -71.01 -51.72 23.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.1 tmmm? -42.31 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.2 m -69.76 -40.52 76.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 522' ' ' ARG . 12.4 mtp-105 -74.18 -45.94 45.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -55.21 -39.72 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -90.18 -6.12 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 40.4 53.97 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -131.0 175.86 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.7 m -64.8 128.85 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -46.03 -46.96 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.95 -59.46 9.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -40.13 -48.45 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.965 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 92.6 t -52.66 -64.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.7 tp -155.56 116.17 2.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.5 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -74.51 -48.76 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 16.3 p80 -52.75 -49.93 64.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 28.9 tpp -66.21 -53.39 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.9 ttp -47.61 -57.32 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 539' ' ' LYS . 21.4 mt -56.53 -58.57 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 538' ' ' LEU . 31.3 tttp -36.75 -46.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.49 -54.37 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.07 -27.44 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.437 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 77.2 mt-10 -87.87 -40.23 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.14 -32.02 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.5 mt 48.02 52.92 13.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.8 Cg_endo -69.71 91.99 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -44.81 -28.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.463 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 18.9 mt-10 -97.9 156.82 35.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -23.03 31.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -63.87 -45.69 88.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.48 -31.99 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.46 -20.47 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 42.2 mt -91.11 -37.07 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.06 -34.74 71.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 20.2 p -51.74 -35.36 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.03 149.76 21.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.72 109.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 174.69 39.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.33 127.21 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.78 48.44 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.0 mt -90.63 -68.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 561' ' ' LEU . 72.9 t -36.61 -47.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -43.83 82.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 561' ' ' LEU . 0.6 OUTLIER -62.11 -56.54 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.26 16.81 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 4.3 tp -48.49 -34.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.98 -49.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.63 -50.88 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 37.1 mtp -51.27 -55.39 18.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -49.38 -47.77 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 71.8 mt -53.16 -46.48 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 48.7 mt -55.96 -57.72 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 37.1 mm -47.36 -39.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.27 -33.31 74.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.78 -26.11 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.33 -21.72 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -92.77 -40.87 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.57 -34.99 8.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' MET . . . . . 0.441 ' CE ' ' CG2' ' A' ' 504' ' ' THR . 17.7 ptm -84.81 146.26 45.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -169.4 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 12.4 mt -109.48 113.68 26.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.47 85.98 2.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -173.58 142.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 22.2 t -98.28 101.5 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -160.0 135.66 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.4 p -168.67 134.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -167.51 110.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -131.02 88.98 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -100.05 101.03 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.83 123.05 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.77 111.75 10.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -149.34 151.94 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 95.1 p -144.89 135.96 24.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 68.7 p -146.36 113.87 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -176.71 87.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.33 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.1 m -130.49 169.14 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 87.9 p -121.37 42.3 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 36.7 m -67.81 96.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 29.8 t -138.07 130.76 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -141.75 -128.98 2.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 35.6 t -90.61 -44.95 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 92.6 p -79.94 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 105.49 -73.7 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -144.49 156.26 56.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 486' ' ' PHE . 5.2 mp -74.93 134.58 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 514' ' ' PHE . 31.9 m-85 -39.29 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' THR . . . . . 0.477 ' O ' ' CG2' ' A' ' 487' ' ' THR . 78.1 m 44.51 35.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 487' ' ' THR . 1.3 p30 36.5 42.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.43 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.9 m -170.17 127.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -86.61 -39.86 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 493' ' ' GLU . 11.8 tp -49.32 -39.87 33.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 492' ' ' LEU . 10.2 mm-40 -36.55 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 497' ' ' LYS . 5.3 mp -38.76 -54.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.47 -49.11 70.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -57.98 -33.52 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 494' ' ' LEU . 28.8 mmtt -38.13 -47.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.16 147.45 23.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . 0.409 ' H ' ' CE ' ' A' ' 499' ' ' LYS . 0.0 OUTLIER -86.23 14.04 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -106.25 112.55 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -65.49 149.52 49.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.97 154.92 28.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -84.97 164.07 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 86.6 m -40.87 -63.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.98 -45.41 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.84 -49.24 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.03 -48.11 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 90.1 m -48.94 -52.99 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.44 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.76 -43.58 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -61.98 -54.75 37.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.33 -52.93 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.65 -52.56 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 486' ' ' PHE . 13.5 t80 -41.99 -53.19 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.95 91.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -51.96 -55.01 22.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.47 ' HG3' ' CG1' ' A' ' 531' ' ' VAL . 27.9 ttp180 -56.32 -45.35 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 0.5 OUTLIER -56.4 -44.32 80.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 519' ' ' LYS . 1.7 ttpm? -65.55 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 57.4 m -50.95 -42.21 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -45.29 -41.31 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.93 -48.36 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -54.61 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.93 -33.67 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 3.7 t70 73.45 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . 0.569 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -117.22 162.29 18.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.4 m -58.86 137.1 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -48.95 -52.46 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.46 -45.12 37.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 75.2 t80 -55.5 -56.45 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.919 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 517' ' ' ARG . 61.4 t -47.69 -61.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.7 tp -162.78 118.9 1.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.74 171.93 13.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -71.24 -50.27 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.694 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.9 p-80 -51.5 -50.68 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.694 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 30.4 tpp -60.66 -50.06 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 27.7 ttp -50.79 -43.8 58.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.27 -61.58 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -40.15 -46.12 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.43 -54.99 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.47 -40.67 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.62 -53.1 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 50.7 mt 61.62 53.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.83 124.68 11.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.98 64.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -103.96 157.11 34.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.428 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.79 -1.79 9.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -78.44 -51.86 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.68 -35.58 16.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -69.53 -25.09 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 59.3 mt -89.39 -31.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.72 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 28.4 p -42.6 -37.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.401 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 89.1 m -90.29 131.1 36.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -162.56 105.0 1.07 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.4 58.66 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.308 -0.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 73.6 t -97.09 128.02 36.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.675 0.75 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 164.93 32.7 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.6 mt -96.84 -70.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 92.2 t -36.56 -39.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -78.0 -46.24 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.52 -57.53 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.92 21.09 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.0 tp -51.0 -46.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -48.14 -50.52 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.22 -54.64 44.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.8 mtp -49.29 -52.02 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.12 -53.75 25.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 87.7 mt -49.3 -44.37 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 64.9 mt -56.46 -50.66 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 23.6 mm -53.88 -39.44 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.72 -33.66 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.04 -35.7 81.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -81.87 -36.63 28.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -74.99 -30.69 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -42.15 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 19.3 ptm -71.95 144.71 88.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.67 41.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 581' ' ' LEU . 1.2 mm? -83.3 98.59 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -43.66 -53.67 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -71.94 144.09 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 1.8 m -41.14 132.79 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -164.64 158.81 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 9.2 p -172.58 148.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -157.14 124.56 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -127.83 82.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -151.88 71.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 35.0 m -133.6 142.35 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -174.39 145.66 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -163.6 125.05 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.0 m -123.8 128.84 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 6.8 t -169.2 123.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 148.32 97.03 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.31 57.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.7 m -123.66 118.29 26.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 6.0 t -174.99 159.94 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 61.7 m -112.42 91.02 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 4.3 m -38.67 146.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 480' ' ' SER . . . 126.04 -49.41 0.92 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 481' ' ' SER . 37.5 m -36.99 -43.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 480' ' ' SER . 57.9 m -35.87 -46.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -141.26 142.39 12.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 484' ' ' PRO . 2.5 ttmp? -153.26 139.52 12.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 483' ' ' LYS . 53.5 Cg_endo -69.76 113.2 3.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.23 . . . . 0.0 112.347 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 486' ' ' PHE . 70.4 mt -122.87 150.67 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.759 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 12.0 m-85 -80.05 45.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 15.3 t -91.1 39.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.96 154.75 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.94 -51.4 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.6 t -131.56 79.25 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -99.15 153.56 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.86 -49.82 9.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -38.86 -33.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 35.1 tp -91.62 -44.87 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.509 ' CD2' ' HG3' ' A' ' 496' ' ' ARG . 44.7 t80 -58.47 -58.74 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.509 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 32.9 mtp180 -88.03 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -93.17 -56.24 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.28 149.58 38.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.26 -51.98 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -64.36 170.32 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -130.56 157.91 41.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 506' ' ' GLN . 38.0 mt -100.37 163.06 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.89 -71.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 91.1 m -135.01 -73.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.46 -60.4 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . 0.454 ' HB3' ' CD2' ' A' ' 502' ' ' LEU . 49.3 mt-30 -41.52 -42.31 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.22 -53.37 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 13.4 m -46.92 -45.87 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.79 -48.04 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.462 ' CD1' HD23 ' A' ' 538' ' ' LEU . 58.9 t80 -50.6 -44.56 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -65.45 -52.57 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 81.8 mt -48.05 -48.76 33.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.54 -46.05 91.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.759 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 47.3 t80 -49.06 -48.05 44.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -53.27 -42.18 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -58.08 -59.08 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 4.2 t0 -54.06 -48.83 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -57.45 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 m -51.15 -39.06 55.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.11 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.63 -58.8 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -52.26 -39.5 60.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -76.89 -25.74 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 61.26 45.53 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.14 173.16 11.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.5 t -59.85 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -49.97 -49.38 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.46 -53.24 42.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -41.14 -57.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.437 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 80.1 t -41.24 -60.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.8 tp -163.7 119.14 1.12 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.487 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 176.24 7.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -73.84 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.487 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 12.6 p80 -38.33 -49.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.42 -59.5 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 10.1 ttp -38.56 -57.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 510' ' ' PHE . 23.6 mt -57.89 -50.34 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 554' ' ' CYS . 35.9 tttm -43.94 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.85 -58.57 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.85 -39.32 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -71.97 -45.6 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.46 -46.65 73.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 40.6 mt 62.8 55.01 2.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.8 123.41 10.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.3 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.474 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 19.1 ptmt -69.51 -41.7 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.3 161.85 29.74 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -78.31 -43.96 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -53.75 -32.79 48.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.42 HG13 ' CG ' ' A' ' 545' ' ' PRO . 4.7 mp -71.2 -33.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 558' ' ' VAL . 49.8 mt -77.26 -38.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.34 51.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 539' ' ' LYS . 2.3 m -60.42 -65.61 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 41.2 m -62.08 126.55 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -155.09 105.11 2.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 171.33 54.28 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.344 -0.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 552' ' ' ILE . 88.2 t -95.32 135.15 23.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . 0.473 ' CG ' HG22 ' A' ' 562' ' ' VAL . 54.4 Cg_endo -69.69 162.85 40.45 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.3 20.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 73.4 mt -95.9 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 559' ' ' PRO . 87.2 t -39.67 -35.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -77.45 -44.65 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.37 28.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -55.21 -40.44 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -55.61 -46.11 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.09 -49.64 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 44.5 mtp -53.73 -49.75 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 2.9 t-160 -54.88 -43.52 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.81 -47.37 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.5 mt -54.25 -55.42 28.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.24 -47.5 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.5 mm-40 -57.53 -38.78 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.12 99.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 578' ' ' GLU . 54.4 mtp180 -69.59 -41.56 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 577' ' ' ARG . 36.8 mm-40 -36.73 -48.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.2 ptm -75.18 147.64 83.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.85 3.18 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.44 103.9 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.67 -42.76 93.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -75.27 145.75 41.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 68.8 p -104.13 84.04 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.93 103.95 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 587' ' ' ALA . 14.7 p -92.23 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 586' ' ' VAL . . . -163.68 142.34 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -117.31 135.52 53.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 144.63 48.04 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 32.9 m -137.87 143.02 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt 56.61 41.8 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -42.22 146.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 9.4 t -55.24 167.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 12.3 t -132.93 134.67 44.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -91.45 -76.37 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.2 59.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 97.1 p -154.31 176.54 12.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 95.9 p -167.78 170.99 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 27.1 t -45.87 99.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 26.1 t -91.68 82.95 5.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 51.59 -174.76 0.13 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 11.4 m -106.67 94.05 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 2.8 m -135.3 139.95 44.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -61.05 -73.34 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -170.43 153.7 4.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.14 62.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 53.1 mt -94.83 89.34 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.635 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 0.9 OUTLIER -122.91 59.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 488' ' ' ASP . 25.9 m -90.88 139.64 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 487' ' ' THR . 2.4 t70 -34.85 -40.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.64 93.78 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 82.1 p -88.22 164.51 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 493' ' ' GLU . 2.3 t80 -50.43 122.33 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -37.62 -27.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.52 ' N ' ' CD1' ' A' ' 492' ' ' LEU . 26.0 tt0 -41.95 -40.31 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 495' ' ' TYR . 19.2 tp -71.6 -54.47 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.54 ' CE1' HD21 ' A' ' 507' ' ' LEU . 0.9 OUTLIER -34.48 -64.26 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -110.79 82.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -118.09 99.86 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.47 38.13 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -155.72 132.17 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 501' ' ' HIS . 11.5 tppt? -40.55 153.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 500' ' ' LYS . 2.4 p-80 -64.15 129.36 39.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.49 158.88 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -91.67 -178.47 5.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.416 ' CG2' ' HE3' ' A' ' 579' ' ' MET . 72.2 m -51.1 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.13 -62.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -38.4 -58.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.54 HD21 ' CE1' ' A' ' 495' ' ' TYR . 31.7 mt -51.46 -54.15 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 22.9 m -46.05 -47.63 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.14 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.52 -45.13 81.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -62.38 -48.38 80.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.9 -54.97 35.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 68.6 mt -51.42 -49.66 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 22.4 t80 -50.95 -59.5 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.73 -52.46 23.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -56.11 -43.62 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -52.38 -47.82 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.411 ' HB2' ' CE1' ' A' ' 486' ' ' PHE . 8.7 t0 -62.06 -44.79 95.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -63.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.476 ' CG2' ' OE2' ' A' ' 524' ' ' GLU . 98.8 m -53.04 -34.29 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.54 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -71.56 -40.17 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.93 -40.13 32.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.476 ' OE2' ' CG2' ' A' ' 520' ' ' THR . 0.1 OUTLIER -71.19 -33.39 69.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.73 38.49 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -119.38 176.39 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.1 m -61.93 134.01 56.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -52.15 -59.76 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -50.52 -46.89 45.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -45.71 -43.21 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.433 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 96.3 t -57.59 -66.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 22.4 tp -152.52 117.07 2.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.496 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.75 175.06 8.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -72.71 -58.15 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.496 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 9.4 p80 -43.94 -45.25 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.49 -53.19 20.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.1 ttm -47.89 -45.24 30.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.37 -55.09 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -40.71 -51.41 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 41.6 mt -67.17 -54.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -46.96 -38.77 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -79.19 -40.39 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -58.97 -50.33 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.1 mt 59.1 52.11 3.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.71 128.01 15.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -67.29 -46.45 73.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -84.56 160.52 56.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -13.27 34.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -69.55 -45.74 68.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -53.98 -20.35 13.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.0 mp -88.31 -24.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.444 ' CG2' HG21 ' A' ' 558' ' ' VAL . 41.1 mt -85.77 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.12 91.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 14.1 p -44.4 -38.14 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.2 p -102.76 140.39 37.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.39 109.42 0.99 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.49 48.87 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.351 -0.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 552' ' ' ILE . 54.7 t -95.94 135.88 22.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . 0.405 ' HD2' ' CG1' ' A' ' 558' ' ' VAL . 54.3 Cg_endo -69.73 162.76 40.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -4.24 13.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 81.9 mt -99.47 -68.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.91 -36.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -77.45 -41.64 38.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.97 -54.06 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -93.6 22.34 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.9 tp -50.4 -40.61 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -55.26 -51.38 66.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.04 -51.05 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.0 mtp -51.55 -50.17 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.85 -47.31 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.71 -46.85 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.4 -53.36 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 43.8 mm -50.59 -41.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.07 -28.13 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.93 -27.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -85.78 -43.34 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -43.5 -38.89 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' MET . . . . . 0.416 ' HE3' ' CG2' ' A' ' 504' ' ' THR . 5.3 ppp? -81.39 142.23 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -173.55 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 26.8 mt -100.85 109.79 21.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 31.9 mt -83.47 86.78 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -122.73 161.66 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 72.1 p -54.32 -18.09 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -140.9 110.29 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 587' ' ' ALA . 14.1 p -156.23 151.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 586' ' ' VAL . . . -129.57 155.58 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -142.17 132.6 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 591' ' ' LYS . 12.9 p -96.21 -51.01 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.461 ' N ' HG12 ' A' ' 590' ' ' VAL . 31.4 mtpt -150.03 131.84 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -107.5 102.94 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 36.6 t -69.4 109.69 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 4.4 t -156.1 135.49 12.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -168.11 84.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.15 13.21 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.0 m -100.04 176.3 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 92.2 p -166.17 146.85 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.454 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.5 t -105.35 42.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 50.9 m -98.16 83.44 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 82.43 72.46 1.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.532 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 55.7 p -98.07 40.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.8 t -127.76 108.99 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -101.27 -129.31 6.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . 0.479 ' CD ' ' HD2' ' A' ' 484' ' ' PRO . 2.3 tppp? -169.97 136.87 1.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . 0.479 ' HD2' ' CD ' ' A' ' 483' ' ' LYS . 53.9 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.349 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 26.0 mt -97.55 87.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.421 ' CE2' ' OD1' ' A' ' 518' ' ' ASP . 0.9 OUTLIER -127.09 59.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 3.5 m -117.73 43.79 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.2 43.19 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -105.64 127.1 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 20.6 m -116.12 112.57 21.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -64.14 158.28 23.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 495' ' ' TYR . 9.9 mp -85.02 -55.57 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 492' ' ' LEU . 33.8 tp10 -35.72 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 492' ' ' LEU . 0.6 OUTLIER -88.91 -39.92 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 492' ' ' LEU . 1.4 t80 -64.47 -58.22 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -97.0 45.07 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -77.38 82.78 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 48.96 41.01 18.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -138.1 138.46 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -41.14 137.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -57.71 146.92 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 85.1 mt -87.14 155.25 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -87.23 178.88 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 32.7 m -53.35 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.23 -49.83 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -49.37 -51.7 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.61 -50.38 70.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 16.9 m -49.45 -42.33 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.45 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.504 ' CE1' ' HE2' ' A' ' 537' ' ' MET . 48.3 t80 -50.69 -43.72 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -62.86 -49.15 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.9 mt -56.83 -52.19 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.25 -59.15 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 6.3 t80 -39.46 -49.83 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.527 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 49.8 t90 -58.27 -60.23 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -44.73 -50.53 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.421 ' OD1' ' CE2' ' A' ' 486' ' ' PHE . 23.4 t0 -60.4 -38.21 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -61.92 -57.6 11.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 24.4 m -59.46 -31.5 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.48 -48.22 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.0 -63.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -40.75 -44.67 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -78.32 -34.38 48.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 17.7 t0 69.85 43.46 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -127.82 169.18 14.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.9 t -64.81 139.57 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -43.19 -45.11 5.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -51.42 -69.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 529' ' ' GLY . 15.7 t80 -34.41 -58.62 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 58.4 t -44.93 -61.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 25.1 tp -160.68 119.2 1.52 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.81 167.24 25.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -69.86 -59.98 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 536' ' ' MET . 12.1 p-80 -41.75 -47.12 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 38.2 ttm -63.89 -54.21 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' MET . . . . . 0.504 ' HE2' ' CE1' ' A' ' 510' ' ' PHE . 22.9 ttp -48.4 -58.22 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 21.9 mt -50.54 -57.5 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -42.88 -46.35 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 74.0 mt -69.03 -53.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.58 -36.22 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 42.7 mt-10 -80.55 -44.02 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -56.05 -48.37 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.468 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.2 mt 62.98 52.65 1.66 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.549 0.69 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.13 -29.29 30.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.445 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 6.3 mt-10 -97.63 157.84 34.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.84 34.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -64.33 -48.31 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.08 23.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.54 -21.41 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.409 ' CG2' HG23 ' A' ' 558' ' ' VAL . 59.8 mt -90.09 -37.47 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.23 81.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 22.5 p -45.05 -36.63 3.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.5 p -102.13 133.28 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -157.5 110.74 1.84 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.44 48.82 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.352 -0.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.409 HG23 ' CG2' ' A' ' 552' ' ' ILE . 50.9 t -95.89 134.95 23.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 160.11 50.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.37 11.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 96.7 mt -96.32 -74.33 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 80.4 t -37.78 -38.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -72.56 -42.42 64.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 561' ' ' LEU . 11.9 tt0 -65.75 -48.96 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -99.62 24.54 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.25 -34.81 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -60.62 -48.72 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . 0.527 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.3 tp10 -60.63 -51.44 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' MET . . . . . 0.495 ' HE1' ' CZ3' ' A' ' 516' ' ' TRP . 45.9 mtp -51.94 -53.18 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.1 t-160 -51.27 -48.56 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.72 -45.18 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.38 -47.97 80.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 48.2 mm -55.3 -40.23 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.86 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -68.17 -42.06 80.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -71.13 -40.2 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -39.86 -50.82 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 13.5 ptm -70.99 147.42 93.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.53 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.53 115.79 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.34 173.76 12.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -47.91 157.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.9 p -166.66 169.48 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -104.94 87.66 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 11.3 p -168.58 131.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -114.3 101.9 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -92.61 161.04 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 179.33 54.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 34.4 m -152.11 130.18 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.99 122.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -96.83 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 59.8 m -100.51 -52.85 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 77.8 p -172.6 161.76 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -106.3 140.81 15.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 109.75 2.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 39.4 m -95.24 171.49 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 66.6 m -150.6 128.94 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 91.8 p -64.39 -50.01 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 63.6 m -83.76 107.63 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -108.95 -161.62 19.98 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 40.6 t -128.65 158.76 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.83 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.3 m -88.09 -48.22 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 98.86 -93.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.34 21.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 104.0 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 52.9 mt -79.14 108.82 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.529 ' CG ' ' OD2' ' A' ' 518' ' ' ASP . 1.9 t80 -116.91 81.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 12.4 t -112.79 155.38 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.59 -45.38 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.54 128.5 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 97.5 p -79.88 161.02 25.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -86.64 160.29 18.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 495' ' ' TYR . 3.8 mm? -73.07 -60.0 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -39.46 -37.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 22.1 tp -67.6 -39.56 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 492' ' ' LEU . 11.2 t80 -66.77 -44.26 81.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -102.73 51.02 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -90.24 45.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 69.6 43.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -136.38 131.72 34.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -45.77 139.15 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -49.63 135.53 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 60.5 mt -88.19 164.73 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -90.03 167.24 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 31.7 m -47.07 -58.17 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.09 -58.02 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.437 HD21 ' CE1' ' A' ' 495' ' ' TYR . 80.7 mt -57.11 -46.95 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 576' ' ' ALA . 90.7 m -52.84 -49.17 66.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.23 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.19 -46.47 72.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.95 -50.84 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 42.3 mt -50.99 -51.24 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.77 -54.03 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.5 -60.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.37 64.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -54.9 -54.5 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.75 -50.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.529 ' OD2' ' CG ' ' A' ' 486' ' ' PHE . 31.6 t0 -57.99 -43.36 86.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -63.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 521' ' ' ALA . 57.7 m -56.21 -46.62 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -34.31 -53.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -58.72 -60.23 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 25.2 mmm-85 -46.36 -44.92 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.2 -28.14 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.78 41.76 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . 0.547 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 3.6 tp10 -128.59 162.42 27.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 13.1 t -63.35 140.6 58.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -48.87 -58.24 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -39.29 -42.55 1.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 66.5 t80 -66.41 -49.36 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.461 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 93.0 t -58.46 -64.76 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.2 tp -158.95 105.01 1.57 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.732 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.2 Cg_endo -69.75 173.71 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.451 ' ND2' HD12 ' A' ' 538' ' ' LEU . 0.1 OUTLIER -62.86 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.645 ' CG ' ' N ' ' A' ' 536' ' ' MET . 8.8 p-80 -36.08 -54.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.645 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 33.8 ttm -57.33 -61.08 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.5 ttp -43.5 -50.91 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.451 HD12 ' ND2' ' A' ' 534' ' ' ASN . 31.9 mt -58.9 -56.71 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -39.7 -57.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.21 -57.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.443 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.19 -40.37 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.88 -40.83 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.0 -47.31 81.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.5 mt 58.1 51.34 4.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.76 114.71 3.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 17.6 ptmt -55.86 -41.13 73.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -93.23 161.36 31.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.751 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -22.59 32.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -66.76 -37.57 84.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.416 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.19 -31.36 73.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 4.4 mp -74.46 -33.73 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.45 -36.2 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.48 -60.34 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 33.2 m -62.66 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -154.53 104.97 2.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.6 52.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.367 -0.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 83.6 t -96.07 125.65 47.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.46 38.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -7.86 22.11 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.708 2.272 . . . . 0.0 112.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 92.2 mt -88.74 -73.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.29 -39.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.14 -42.67 62.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.87 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -84.54 24.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 567' ' ' ASN . 7.1 tp -55.38 -47.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . 0.416 ' N ' HG21 ' A' ' 566' ' ' ILE . 45.6 m-80 -46.06 -47.67 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.2 -52.5 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.6 mtp -51.77 -50.68 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.6 t-160 -52.82 -49.08 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.0 mt -51.85 -47.72 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.69 -46.79 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.2 -41.38 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 6.3 mm-40 -66.67 -34.28 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -66.25 -42.3 88.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 508' ' ' THR . . . -63.85 -45.02 91.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 15.0 mtp-105 -71.12 -42.89 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -38.48 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 10.1 ptm -75.41 147.73 82.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 173.79 10.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 10.8 mt -89.45 15.89 8.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 42.4 mt 38.1 40.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -49.16 165.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 94.6 p -40.2 -49.44 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.58 83.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 587' ' ' ALA . 7.5 p -150.75 145.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 588' ' ' ALA . . . -45.91 171.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 587' ' ' ALA . . . -35.4 139.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 151.84 87.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.67 144.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -49.0 148.86 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -63.5 102.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 1.8 m -51.76 157.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 18.5 t -152.71 122.49 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -120.53 88.59 0.43 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.11 8.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 58.8 p -170.37 166.45 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 77.9 p -119.8 152.53 37.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 46.8 m -104.37 142.32 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 95.2 p -165.66 112.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -105.65 127.28 8.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 28.4 p -161.52 131.05 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 3.1 m -168.83 173.19 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 91.39 -43.47 2.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 150.51 37.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 93.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 43.6 mt -105.88 93.45 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.19 -39.45 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 95.0 m -51.96 98.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.01 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -106.5 43.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 21.4 p -125.14 172.3 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 493' ' ' GLU . 0.3 OUTLIER -174.29 125.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 491' ' ' TYR . 0.7 OUTLIER -34.35 -34.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 491' ' ' TYR . 25.4 tt0 -41.26 -53.82 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.07 -34.27 13.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 492' ' ' LEU . 11.8 t80 -75.74 -30.3 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -112.63 57.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 498' ' ' GLN . 2.0 tptm -116.33 -173.16 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 499' ' ' LYS . 78.2 mt-30 -34.33 -58.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 498' ' ' GLN . 4.6 mtmp? -34.21 116.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 499' ' ' LYS . 30.1 mtpt -35.37 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -171.75 174.15 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 78.5 mt -111.83 150.07 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 504' ' ' THR . 32.0 m-20 -91.37 155.64 18.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 503' ' ' ASN . 55.9 m -34.55 -61.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -56.88 -49.39 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -50.92 -40.81 57.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.04 -52.37 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 55.8 m -49.66 -46.42 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 576' ' ' ALA . . . -68.25 -46.07 71.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 538' ' ' LEU . 21.2 t80 -48.45 -40.49 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.73 -47.14 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.92 -44.52 78.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.96 -53.33 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 4.9 t80 -45.59 -49.75 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.39 -58.83 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.5 ' CZ3' ' HE2' ' A' ' 569' ' ' MET . 42.6 t90 -49.37 -55.79 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -44.59 -54.45 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.6 -26.68 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -66.22 -49.63 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 96.9 m -67.13 -35.25 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -39.3 -40.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -54.75 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -55.93 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 526' ' ' GLU . 5.3 mm-40 -71.58 -27.83 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 524' ' ' GLU . 0.4 OUTLIER 48.05 50.8 15.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 524' ' ' GLU . 2.0 mp0 -146.56 172.68 13.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.5 m -59.11 137.76 57.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 529' ' ' GLY . 25.9 m-85 -48.0 -57.18 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.69 -55.13 1.76 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.05 -45.28 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.6 -64.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.5 tp -159.53 122.72 1.98 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.8 Cg_endo -69.71 168.58 21.07 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -69.79 -62.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 536' ' ' MET . 11.0 p-80 -40.31 -52.14 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.585 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 18.7 ttm -60.52 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 536' ' ' MET . 41.5 ttp -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 510' ' ' PHE . 52.2 mt -64.51 -51.23 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -41.18 -43.24 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.41 -47.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -56.12 -31.96 63.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.65 -45.88 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.07 -43.94 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.452 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.8 mt 56.76 53.31 6.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 54.0 Cg_endo -69.72 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.451 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 6.9 ptpp? -52.56 -51.95 57.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.401 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.6 mm-40 -78.75 159.76 73.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.401 ' HD2' ' CD ' ' A' ' 547' ' ' GLU . 53.8 Cg_endo -69.77 -19.59 35.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.89 -46.66 88.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.83 -21.18 22.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.7 mp -85.22 -24.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 55.6 mt -85.62 -51.14 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.98 -27.71 53.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 3.1 p -51.72 -32.79 31.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 6.1 t -107.39 152.94 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -168.35 108.42 0.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.68 39.64 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.343 -0.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 90.5 t -109.5 127.05 27.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.78 27.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.28 -34.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 566' ' ' ILE . 11.8 tpt180 -83.39 -46.6 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.96 -54.22 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.09 14.3 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.405 ' CG2' ' O ' ' A' ' 563' ' ' ARG . 3.6 tp -49.03 -40.92 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.14 -49.94 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.59 -53.34 59.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' MET . . . . . 0.5 ' HE2' ' CZ3' ' A' ' 516' ' ' TRP . 45.1 mtp -50.08 -52.62 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -50.9 -49.74 58.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.33 -49.52 61.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 35.6 mt -52.5 -56.28 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.6 mm -48.9 -42.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 11.7 mm-40 -68.59 -30.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.13 -26.58 62.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.427 ' CB ' ' HB1' ' A' ' 509' ' ' ALA . . . -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 11.6 mtp-105 -84.42 -38.54 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 577' ' ' ARG . 8.0 pt-20 -36.91 -40.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.78 143.51 43.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.604 0.716 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 12.0 mt -108.16 102.63 11.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -43.85 113.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.02 143.92 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.0 t -40.03 -53.93 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -57.87 108.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.64 138.39 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -118.22 89.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -62.52 168.94 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -83.7 137.61 16.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.52 147.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -132.47 122.44 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 160.56 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.1 p -48.25 114.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 83.4 p -166.62 134.16 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -167.45 83.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 597' ' ' SER . 54.0 Cg_endo -69.76 -47.87 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 596' ' ' PRO . 88.2 p 34.67 44.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 53.8 p -122.36 159.42 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.2 m -83.11 43.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 23.8 t -40.37 116.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 79.36 108.26 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 80.8 p -173.24 129.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 32.1 t -104.92 137.98 41.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -149.34 120.21 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -55.39 159.57 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.703 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 28.5 mm -111.69 135.78 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.719 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 45.5 t80 -111.17 -32.82 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 4.9 t -160.0 147.59 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.85 53.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.65 36.7 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 94.8 p -127.43 114.16 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.94 -35.91 4.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.21 -17.54 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -56.1 -37.04 68.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -32.3 17.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.55 -58.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 497' ' ' LYS . 0.2 OUTLIER -49.46 -54.41 17.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 496' ' ' ARG . 24.1 mttp -34.79 -54.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -48.53 122.23 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -46.42 -57.44 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -77.94 160.19 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -101.21 168.69 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 92.9 mt -113.8 148.59 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -91.75 171.08 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 29.0 m -44.19 -63.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -51.72 -59.03 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -43.5 -49.5 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.39 -50.07 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.8 m -55.21 -53.97 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.97 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -52.4 -53.03 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.46 -53.28 56.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.86 -47.94 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 514' ' ' PHE . 89.5 mt -59.88 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.719 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 8.5 t80 -34.78 -61.35 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.64 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.62 -51.54 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -47.34 -51.42 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 33.2 t0 -61.23 -46.59 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 1.0 OUTLIER -50.42 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 79.5 m -59.05 -40.59 85.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.13 -43.55 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.415 ' HD3' ' C ' ' A' ' 522' ' ' ARG . 4.3 tmt_? -68.81 -54.31 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -49.87 -43.74 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.11 -34.33 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 8.2 t0 70.92 42.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -126.56 170.45 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 97.4 p -59.12 133.92 56.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 486' ' ' PHE . 65.1 m-85 -53.27 -42.62 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.26 55.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -48.35 -57.79 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 98.2 t -43.41 -62.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.2 tp -159.57 118.77 1.67 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.7 173.41 10.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.759 2.306 . . . . 0.0 112.341 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -40.09 -54.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.421 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 43.9 ttm -57.67 -58.52 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 536' ' ' MET . 13.5 ttp -36.76 -51.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.58 -57.54 11.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -37.84 -42.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 67.9 mt -70.98 -56.27 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -49.95 -36.74 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 61.8 mt-10 -74.7 -38.96 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.6 -45.6 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.457 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.9 mt 55.18 52.9 8.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.466 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.8 Cg_endo -69.71 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -47.57 -31.2 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.464 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.5 mt-10 -95.99 157.8 35.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.473 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.73 -26.78 27.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.87 -43.39 94.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -55.16 -23.17 31.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -82.92 -21.41 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.98 -46.81 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.55 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.498 ' HG ' ' N ' ' A' ' 555' ' ' CYS . 11.9 p -52.08 -41.57 62.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 554' ' ' CYS . 3.7 t -94.06 147.63 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -166.69 104.99 0.66 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 176.87 30.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.329 -0.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 555' ' ' CYS . 91.9 t -112.18 128.91 24.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.9 30.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.63 -63.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.98 -37.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.9 tpt85 -81.74 -41.26 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -59.47 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -92.86 23.77 4.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.8 tp -53.37 -41.18 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -53.93 -50.28 66.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.68 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.1 mtp -50.45 -52.45 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.6 t-160 -49.87 -50.58 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.42 -44.83 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.6 -47.53 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.15 -46.26 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.88 -42.16 97.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.24 -46.11 79.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.78 -31.36 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -81.97 -30.62 31.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -46.09 -46.53 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -76.53 142.66 71.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 178.2 4.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 7.5 mt -109.12 111.44 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 12.3 mt -89.31 146.5 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -137.01 174.8 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 53.0 m -131.59 -54.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -123.9 155.95 37.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 9.6 p -100.3 141.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -137.21 139.15 40.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -164.51 173.04 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -136.6 -133.25 3.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.28 170.67 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -139.59 109.0 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -169.33 160.56 9.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.0 m 69.06 54.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 89.8 p -102.75 -30.73 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -148.28 -158.66 8.08 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 124.9 11.54 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 21.7 p -128.89 160.43 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 15.0 m -97.47 142.55 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 80.4 p -168.98 135.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 63.3 p -44.41 -58.74 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 143.03 -44.58 0.95 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 59.1 p -100.35 -30.07 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.8 m -53.56 159.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 123.28 141.73 5.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . 0.465 ' N ' ' HE3' ' A' ' 483' ' ' LYS . 0.0 OUTLIER -76.96 161.18 74.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.701 . . . . 0.0 110.892 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.321 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 486' ' ' PHE . 4.1 mp -76.49 159.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 518' ' ' ASP . 9.4 t80 -96.67 -43.23 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.5 t -73.7 -25.21 60.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.63 -53.54 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.92 137.02 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 95.1 p -91.47 131.58 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 491' ' ' TYR . 0.3 OUTLIER -82.65 37.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.56 -39.74 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.74 -54.35 20.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 497' ' ' LYS . 0.9 OUTLIER -51.26 -39.45 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 496' ' ' ARG . 9.9 t80 -65.54 -56.81 10.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.524 ' HG2' ' CD2' ' A' ' 495' ' ' TYR . 17.0 mmt180 -85.62 45.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 498' ' ' GLN . 4.1 mmpt? -73.64 82.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 497' ' ' LYS . 9.9 mp0 34.28 41.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -135.16 166.64 22.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -62.4 162.82 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.35 147.51 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 64.2 mt -81.64 172.17 13.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -91.55 166.51 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 8.9 m -44.3 -58.57 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -57.91 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -42.01 -47.05 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.66 -58.93 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 89.9 m -45.96 -52.23 12.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.09 90.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.51 ' CE1' HD22 ' A' ' 538' ' ' LEU . 42.5 t80 -55.89 -47.75 76.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.62 -44.44 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.39 -50.69 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.75 -45.77 85.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.416 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 30.9 t80 -51.41 -61.22 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.84 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.412 ' CZ3' ' HE1' ' A' ' 569' ' ' MET . 47.5 t90 -49.53 -50.15 43.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -50.32 -51.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 10.0 t70 -60.51 -48.53 81.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -59.99 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 91.0 m -56.94 -56.61 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.01 -28.74 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -76.15 -33.16 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -81.39 -46.18 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -27.59 63.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 64.92 45.15 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.75 178.84 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.3 t -59.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.59 -58.53 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -51.73 -42.24 52.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -46.84 -45.69 20.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.41 . . . . 0.0 110.927 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.469 HG23 ' CD1' ' A' ' 561' ' ' LEU . 99.0 t -62.61 -64.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 12.8 tp -155.51 105.02 2.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.529 ' HG2' ' CE1' ' A' ' 535' ' ' HIS . 53.7 Cg_endo -69.76 157.65 59.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -51.11 -54.11 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.637 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.3 p-80 -43.58 -53.78 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.637 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 35.3 tpp -64.2 -59.53 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 11.6 ttp -39.18 -48.4 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.51 HD22 ' CE1' ' A' ' 510' ' ' PHE . 31.5 mt -60.68 -53.6 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -49.85 -43.25 48.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 36.0 mt -70.63 -58.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -45.14 28.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -69.12 -44.61 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.02 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 65.9 mt 62.63 54.05 2.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.464 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.5 Cg_endo -69.76 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.454 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 0.0 OUTLIER -54.19 -35.0 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 10.9 mt-10 -95.77 161.14 28.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.29 26.74 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -56.62 -44.88 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -52.27 -36.01 44.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 5.0 mp -76.22 -23.35 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 51.8 mt -83.94 -41.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.94 68.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 15.2 p -41.25 -35.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 59.9 m -93.19 134.81 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -162.74 104.97 1.05 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 172.17 50.41 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 -0.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 84.7 t -98.15 126.4 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.02 28.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -4.4 13.91 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 564' ' ' GLN . 42.4 mt -93.02 -75.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 84.8 t -36.29 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -76.52 -41.28 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.3 tt0 -68.13 -54.73 15.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -85.8 18.31 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 567' ' ' ASN . 4.4 tp -50.61 -38.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . 0.453 ' N ' HG21 ' A' ' 566' ' ' ILE . 13.0 m120 -58.65 -49.51 77.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.8 -52.95 62.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' MET . . . . . 0.412 ' HE1' ' CZ3' ' A' ' 516' ' ' TRP . 36.9 mmm -50.39 -57.52 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.3 t-160 -48.46 -46.08 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 42.4 mt -52.72 -48.44 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.99 -41.49 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.0 mm-40 -67.17 -29.02 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.26 -37.31 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.85 -21.34 28.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -88.15 -42.03 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.78 -42.6 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.22 141.49 86.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.55 2.39 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.1 mt -100.03 100.59 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 25.7 mt -78.13 -66.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -79.91 86.42 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -140.39 129.63 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.51 81.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 10.9 p -172.77 140.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 588' ' ' ALA . . . 74.82 41.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 587' ' ' ALA . . . -36.62 124.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 60.54 90.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 591' ' ' LYS . 11.4 p -121.2 146.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.394 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 590' ' ' VAL . 0.0 OUTLIER -119.92 34.39 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -69.36 167.53 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 66.4 m -123.01 106.04 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 75.2 m -136.12 160.53 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -149.57 115.26 0.71 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.36 60.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.4 t -63.67 -43.49 96.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 53.6 p 43.62 42.28 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 477' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 476' ' ' GLY . 82.4 p 35.85 42.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.863 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 74.1 m -158.87 118.77 3.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -76.62 -127.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 1.5 t -101.19 142.54 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.8 m -52.38 -58.64 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 483' ' ' LYS . . . -80.07 -164.78 30.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 482' ' ' GLY . 3.4 pptp? -38.19 150.41 0.19 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 136.7 33.77 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.736 2.29 . . . . 0.0 112.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 27.6 mt -73.83 -44.24 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 518' ' ' ASP . 4.2 t80 68.28 37.54 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 486' ' ' PHE . 55.0 m -33.6 144.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . 0.432 ' N ' HG21 ' A' ' 487' ' ' THR . 12.5 m-20 -72.9 177.31 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.22 102.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 46.9 t -99.96 -35.63 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 493' ' ' GLU . 0.2 OUTLIER -88.24 28.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 495' ' ' TYR . 11.7 mt -38.57 -25.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 491' ' ' TYR . 2.7 tp10 -37.69 -53.79 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -44.86 -40.4 6.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.436 ' OH ' ' CD2' ' A' ' 507' ' ' LEU . 2.3 t80 -49.17 -41.51 36.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 496' ' ' ARG . 0.1 OUTLIER -113.3 17.32 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' ' 493' ' ' GLU . 22.0 tttm -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.403 ' CG ' HD12 ' A' ' 538' ' ' LEU . 11.4 mm-40 -68.33 -70.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -147.06 -175.3 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -46.2 171.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.97 173.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 31.3 mt -107.24 158.46 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -86.81 -178.0 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.446 ' CG2' ' HE1' ' A' ' 579' ' ' MET . 25.7 m -55.48 -62.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -52.87 -57.9 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -41.17 -57.37 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.436 ' CD2' ' OH ' ' A' ' 495' ' ' TYR . 29.8 mt -49.36 -63.92 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 507' ' ' LEU . 60.2 m -36.39 -45.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -70.53 -44.39 67.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.426 ' CE1' HD21 ' A' ' 538' ' ' LEU . 61.5 t80 -58.17 -49.19 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.04 -44.8 96.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.16 -46.85 82.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.89 -50.41 56.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 3.9 t80 -44.53 -51.92 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.76 75.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.07 -54.5 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 20.1 ttp180 -52.42 -56.31 15.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.535 ' HB3' ' CE1' ' A' ' 486' ' ' PHE . 30.4 t0 -55.59 -32.64 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -70.18 -60.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 45.9 m -55.79 -34.42 65.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -40.7 -43.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 522' ' ' ARG . 5.8 mmm180 -69.67 -53.6 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.14 -51.98 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.76 -28.67 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.3 46.06 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -126.0 167.27 15.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 47.6 m -60.68 135.47 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.414 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 33.1 m-85 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -47.28 -56.25 8.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -44.54 -44.5 8.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 74.9 t -58.99 -62.66 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 18.6 tp -157.86 118.44 1.95 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.05 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -73.6 -64.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 536' ' ' MET . 9.1 p-80 -38.71 -43.27 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 555' ' ' CYS . 38.3 ttm -68.3 -57.57 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 23.0 ttp -49.06 -55.48 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.426 HD21 ' CE1' ' A' ' 510' ' ' PHE . 19.7 mt -56.65 -53.56 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -43.49 -49.41 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.41 ' CG2' HD11 ' A' ' 573' ' ' ILE . 93.9 mt -67.77 -58.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.93 -35.18 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -85.25 -35.38 21.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.52 -48.5 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 46.8 mt 63.61 51.82 1.35 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 574' ' ' GLN . 0.2 OUTLIER -41.81 -29.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.465 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 40.8 mt-10 -97.46 154.64 37.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . 0.41 ' HA ' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -19.39 36.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -67.39 -46.05 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.53 -26.75 24.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -80.91 -21.38 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 58.9 mt -92.83 -35.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 31.7 p -50.01 -29.74 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.471 ' HB3' ' CE ' ' A' ' 536' ' ' MET . 1.3 p -103.21 139.46 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -157.07 107.82 1.91 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -179.19 18.42 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 -0.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 58.6 t -98.95 133.49 22.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.62 62.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.01 11.15 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 564' ' ' GLN . 89.7 mt -98.9 -71.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 561' ' ' LEU . 69.5 t -37.77 -36.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -74.57 -40.79 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 561' ' ' LEU . 6.5 mt-30 -69.98 -53.93 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.85 22.08 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.1 tp -54.05 -39.33 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.45 -55.72 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.3 mtp -48.75 -53.32 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -50.95 -49.71 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.19 -44.41 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.98 -53.2 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.41 HD11 ' CG2' ' A' ' 540' ' ' ILE . 46.3 mm -50.97 -38.77 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.6 mm-40 -69.81 -33.23 72.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.74 -24.92 61.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -86.6 -27.76 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 578' ' ' GLU . 44.8 mtp85 -86.65 -42.25 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 577' ' ' ARG . 11.2 pt-20 -36.76 -42.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' MET . . . . . 0.446 ' HE1' ' CG2' ' A' ' 504' ' ' THR . 5.5 ppp? -82.83 142.37 45.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.43 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.58 123.76 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 5.0 mp -95.66 93.46 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -143.54 166.61 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 1.3 t -42.36 142.96 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -50.16 157.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 587' ' ' ALA . 10.7 p -168.62 143.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 586' ' ' VAL . . . -55.88 98.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -165.79 134.44 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -80.02 96.33 1.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 59.5 t -118.69 134.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 111.104 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.54 171.55 17.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -125.16 171.76 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 5.0 t -111.03 167.47 10.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 32.6 t -136.2 149.69 48.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -108.03 124.4 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.23 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 2.2 m -137.24 170.68 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 15.3 t -67.31 -61.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 26.6 m -106.95 85.19 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 4.1 m -161.39 157.36 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 145.87 137.25 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 54.5 m -144.49 150.55 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.2 t -86.32 -57.84 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -168.19 -168.09 29.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.537 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 138.88 28.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 164.03 36.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 50.2 mm -119.17 -36.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.78 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 27.2 m-85 -84.33 -32.2 24.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 488' ' ' ASP . 24.5 m -51.38 -48.8 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 487' ' ' THR . 4.2 m-20 -36.36 131.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -78.56 -14.19 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 32.7 t -101.64 133.18 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -112.81 -52.57 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -38.99 -48.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -45.24 -53.87 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.84 -49.46 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.551 ' CE1' HD21 ' A' ' 507' ' ' LEU . 6.9 t80 -59.73 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 495' ' ' TYR . 12.1 mmm180 -84.66 49.51 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -85.5 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 500' ' ' LYS . 21.2 mp0 -104.21 142.95 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.46 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 498' ' ' GLN . 32.7 ttpt -64.49 116.65 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 538' ' ' LEU . 90.2 mt -86.73 153.27 21.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -94.63 -177.01 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 52.2 m -52.63 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -55.62 -59.85 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -42.18 -58.71 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 495' ' ' TYR . 33.1 mt -48.73 -44.85 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 24.0 m -53.62 -47.89 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.59 90.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 538' ' ' LEU . 90.5 t80 -52.58 -44.99 66.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -64.05 -50.86 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.5 mt -54.26 -46.97 72.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.8 -48.54 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.78 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 39.4 t80 -47.65 -60.44 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.28 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.514 ' CZ3' ' SD ' ' A' ' 569' ' ' MET . 39.9 t90 -58.9 -41.75 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 34.1 ttt180 -54.28 -54.61 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.495 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 5.6 t70 -57.38 -38.44 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.3 tmmm? -58.02 -52.47 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.469 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.3 m -74.25 -21.28 59.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -76.55 -42.71 41.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -70.78 -34.17 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -75.76 -47.09 27.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 524' ' ' GLU . 0.0 OUTLIER -79.52 -7.85 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 41.64 52.49 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.83 171.26 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -59.96 131.47 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.6 49.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.28 -42.15 81.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.97 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . 0.456 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 22.3 tp -141.21 108.88 6.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.96 61.6 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 535' ' ' HIS . 54.5 t30 -47.73 -61.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.6 p-80 -37.22 -52.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.612 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 26.2 tpp -65.98 -52.83 46.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 20.3 ttp -48.61 -61.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 510' ' ' PHE . 32.0 mt -49.0 -56.85 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -43.64 -43.64 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.49 ' CD1' ' SG ' ' A' ' 554' ' ' CYS . 70.5 mt -71.31 -58.63 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -48.58 -30.02 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.7 -34.51 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.36 -52.68 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 51.0 mt 61.55 53.0 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.476 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 4.2 ptmm? -38.41 -54.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -81.05 156.09 72.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.83 -42.17 95.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -58.17 -29.11 62.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.18 -22.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 21.8 mt -86.22 -40.5 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.49 ' SG ' ' CD1' ' A' ' 540' ' ' ILE . 14.1 p -43.71 -31.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.86 145.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -165.56 108.04 0.76 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.33 36.86 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.371 -0.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.93 133.45 24.25 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 158.6 56.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.18 15.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' GLN . 96.0 mt -96.61 -73.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -37.99 -35.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.8 tpt85 -73.67 -43.11 60.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 561' ' ' LEU . 29.9 tt0 -70.44 -54.37 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.08 21.44 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 7.5 tp -54.81 -40.18 51.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -53.68 -45.6 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -63.97 -54.6 31.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' MET . . . . . 0.514 ' SD ' ' CZ3' ' A' ' 516' ' ' TRP . 64.7 mmm -50.53 -50.68 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.8 t-160 -52.03 -53.31 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.95 -49.53 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.82 -54.88 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 544' ' ' LEU . 16.1 mm -46.55 -46.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.697 HE21 ' N ' ' A' ' 574' ' ' GLN . 1.3 mm-40 -63.73 -36.63 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.42 ' HA ' ' CD ' ' A' ' 578' ' ' GLU . 20.0 mt-30 -70.18 -21.41 63.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -93.31 -35.39 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -40.09 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 579' ' ' MET . 16.2 pt-20 -47.78 -46.76 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 578' ' ' GLU . 15.1 ptm -65.76 145.5 99.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.02 100.79 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.976 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.85 82.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -164.28 171.64 14.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 2.1 t -103.65 41.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -115.14 164.8 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.44 145.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . 66.23 41.13 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -96.53 86.54 4.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 76.5 -176.32 52.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.05 144.04 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.39 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -121.76 149.39 43.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.2 p -131.89 134.71 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 69.4 p -169.38 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -63.82 -168.42 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.89 34.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.5 t -174.21 176.27 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 49.4 m -48.21 144.55 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 97.2 p -161.64 136.73 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 2.0 t 56.13 42.29 28.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -71.9 -157.39 3.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 4.3 m -129.54 110.66 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -152.66 115.06 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 76.0 -141.26 26.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 483' ' ' LYS . 0.1 OUTLIER -145.98 140.88 16.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.549 0.69 . . . . 0.0 110.905 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 147.42 62.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 64.1 mt -112.46 87.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 518' ' ' ASP . 1.5 t80 -44.98 -54.11 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 85.4 m -38.71 -57.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -41.0 114.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -91.61 40.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 43.5 t -94.6 118.29 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -133.29 41.07 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 493' ' ' GLU . 9.6 tp -93.32 -50.99 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 492' ' ' LEU . 30.6 tt0 -34.95 -54.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.21 -56.18 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.54 ' CD1' HD23 ' A' ' 507' ' ' LEU . 16.6 t80 -43.14 -60.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.42 ' NH2' HD21 ' A' ' 492' ' ' LEU . 40.1 mtm180 -89.22 41.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.52 -50.0 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -105.65 -71.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -155.94 158.51 38.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -81.55 83.89 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -107.91 -33.06 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.438 ' CD2' ' HB3' ' A' ' 506' ' ' GLN . 29.0 mt -73.01 153.46 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -118.94 -72.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.401 ' CB ' ' H ' ' A' ' 582' ' ' LEU . 55.4 m -135.0 -71.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.441 ' CG ' HD23 ' A' ' 581' ' ' LEU . 78.0 mt-30 -52.43 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . 0.438 ' HB3' ' CD2' ' A' ' 502' ' ' LEU . 44.2 mt-30 -36.65 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.54 HD23 ' CD1' ' A' ' 495' ' ' TYR . 17.6 mt -66.59 -49.4 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.9 m -50.32 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . 0.472 ' HB1' ' CB ' ' A' ' 576' ' ' ALA . . . -64.49 -49.03 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . 0.566 ' CE1' ' HE1' ' A' ' 537' ' ' MET . 66.8 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -63.48 -53.53 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 50.9 mt -52.81 -45.09 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.08 -53.11 61.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.73 -51.79 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.11 71.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -52.78 -44.52 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.406 ' HB3' ' CE2' ' A' ' 486' ' ' PHE . 28.9 t0 -60.51 -42.66 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.3 OUTLIER -57.77 -63.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 521' ' ' ALA . 21.4 m -59.37 -42.35 91.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -33.59 -53.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.05 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -57.51 -42.67 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -70.94 -31.0 67.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 43.4 t0 65.97 41.64 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.73 167.07 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 65.6 p -59.31 152.14 21.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.66 -59.5 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.7 11.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.0 -50.16 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.97 0.414 . . . . 0.0 110.954 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.8 -61.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.0 tp -154.81 105.01 2.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -54.47 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 536' ' ' MET . 7.2 p-80 -47.79 -48.81 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' MET . . . . . 0.563 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 31.4 ttm -64.8 -59.71 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' MET . . . . . 0.566 ' HE1' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttp -45.58 -46.55 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 539' ' ' LYS . 26.8 mt -63.52 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 538' ' ' LEU . 5.7 ttmm -34.44 -38.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . 0.437 ' CD1' ' SG ' ' A' ' 554' ' ' CYS . 64.9 mt -78.18 -54.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.91 40.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.03 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.95 -53.11 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.465 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 70.6 mt 62.79 52.54 1.74 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.73 109.79 2.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.468 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 11.1 ptmm? -52.09 -42.65 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -86.35 158.12 55.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.35 37.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -63.69 -48.9 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -51.23 -29.27 21.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 4.7 mp -80.29 -25.55 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.446 ' CG1' HD12 ' A' ' 566' ' ' ILE . 47.0 mt -80.17 -38.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -71.62 -43.13 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' A' ' 540' ' ' ILE . 9.6 p -41.81 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 553' ' ' ALA . 1.9 p -115.28 132.92 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -153.44 111.5 2.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 173.46 44.65 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.294 0.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.84 127.84 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.46 45.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.71 8.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.15 -64.32 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 98.6 t -42.39 -41.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.23 -41.56 57.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.85 -58.79 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.69 31.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . 0.446 HD12 ' CG1' ' A' ' 552' ' ' ILE . 6.3 tp -55.57 -39.91 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -55.8 -47.75 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.87 -49.26 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.03 -51.16 62.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 7.5 t-160 -52.91 -46.86 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 97.2 mt -53.86 -46.48 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.45 -48.36 77.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 46.9 mm -56.25 -38.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 17.0 mm-40 -71.52 -30.28 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.35 -33.5 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . 0.472 ' CB ' ' HB1' ' A' ' 509' ' ' ALA . . . -83.3 -26.3 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -84.59 -44.61 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -49.63 -40.51 39.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 583' ' ' LYS . 5.0 ppp? -71.23 142.51 87.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.67 68.69 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.441 HD23 ' CG ' ' A' ' 505' ' ' GLN . 10.4 mt -68.93 163.03 25.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 583' ' ' LYS . 2.7 pp 34.63 50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.468 ' HG3' ' CE ' ' A' ' 579' ' ' MET . 50.4 mtmt -33.53 -55.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 21.0 t -73.61 120.69 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 98.53 11.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.91 -18.13 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -169.8 111.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -59.41 97.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -72.07 145.66 38.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.4 137.25 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.926 0.393 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -103.51 165.11 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 4.6 m -137.51 150.68 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 40.9 p -172.83 172.2 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 119.18 90.09 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 37.0 t -169.48 157.36 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 33.6 m -57.53 130.47 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.3 t -162.47 120.2 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 11.7 t -81.96 166.81 19.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -161.82 173.75 38.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 13.1 t -143.95 151.08 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 1.4 t -40.71 146.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 47.64 -138.7 10.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -141.77 130.93 12.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 49.7 mm -56.07 134.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.651 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 5.1 t80 -78.33 -43.49 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.7 t -80.1 84.6 5.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.42 164.4 15.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 -6.85 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.7 t -164.42 106.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 491' ' ' TYR . 0.3 OUTLIER -96.56 26.71 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.18 -48.1 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -42.27 -44.77 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.08 -49.19 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' TYR . . . . . 0.551 ' CE1' HD22 ' A' ' 507' ' ' LEU . 1.4 t80 -56.17 -52.79 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 496' ' ' ARG . 9.4 mtm105 -92.54 57.02 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 498' ' ' GLN . 0.0 OUTLIER -84.25 28.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 497' ' ' LYS . 10.2 pt20 43.76 50.0 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -173.03 124.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.76 54.56 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 501' ' ' HIS . 9.9 p80 -46.19 117.73 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 69.0 mt -80.65 152.45 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.36 -175.0 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 83.2 m -48.56 -65.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -52.78 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -39.41 -50.46 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' A' ' 495' ' ' TYR . 20.9 mt -52.87 -49.2 66.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 69.9 m -53.1 -48.68 67.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.25 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.02 -45.83 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -65.01 -47.85 76.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.6 -47.67 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.58 -57.2 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 10.7 t80 -39.29 -58.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.72 -51.92 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' TRP . . . . . 0.525 ' CZ3' ' HE2' ' A' ' 569' ' ' MET . 52.9 t90 -53.64 -42.39 67.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 528' ' ' TYR . 7.5 ttt-85 -56.2 -53.33 58.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 10.6 t0 -59.37 -40.63 87.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -61.24 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' THR . . . . . 0.472 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 94.9 m -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.91 -59.78 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -55.88 -45.53 78.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -63.38 -27.33 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 525' ' ' ASP . 73.9 mm-40 -95.64 19.05 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 524' ' ' GLU . 4.7 t0 36.7 34.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' GLU . . . . . 0.407 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 8.2 tp10 -120.73 162.18 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.5 t -69.2 149.12 48.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 517' ' ' ARG . 46.2 m-85 -55.82 -60.33 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -42.77 -61.2 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.477 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 529' ' ' GLY . 58.4 t80 -36.74 -61.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -43.0 -67.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.71 108.52 3.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.503 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.0 Cg_endo -69.79 -173.96 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 535' ' ' HIS . 4.5 m120 -73.07 -67.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.503 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 3.8 p80 -35.64 -46.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 37.0 tpp -67.57 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 15.0 ttm -39.22 -63.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 28.9 mt -48.4 -59.48 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -40.73 -51.27 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.4 -56.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -48.82 -32.28 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -81.78 -41.97 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.58 -40.45 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.0 mt 54.45 53.27 9.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.649 0.738 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 102.7 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.471 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -52.49 -30.91 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.471 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 12.2 mt-10 -96.79 157.77 34.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -22.73 31.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.1 -38.88 92.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.83 -19.38 55.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.95 -18.62 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 111.149 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . 0.454 ' CG2' HG22 ' A' ' 558' ' ' VAL . 42.9 mt -91.28 -35.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 555' ' ' CYS . 1.4 p -50.33 -44.74 54.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 554' ' ' CYS . 2.2 p -85.51 138.43 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -162.11 107.08 1.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 176.93 30.83 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.365 -0.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 552' ' ' ILE . 48.2 t -92.99 131.6 32.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 160.35 50.02 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 562' ' ' VAL . 86.1 mt -96.65 -70.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 561' ' ' LEU . 53.4 t -35.43 -35.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 561' ' ' LEU . 5.2 tpt180 -78.13 -48.6 15.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 561' ' ' LEU . 22.0 tt0 -60.16 -50.75 72.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -98.12 21.6 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.7 tp -49.61 -36.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.38 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.63 -51.12 70.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' MET . . . . . 0.525 ' HE2' ' CZ3' ' A' ' 516' ' ' TRP . 49.4 mtp -51.27 -52.77 41.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.97 -47.51 61.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 73.1 mt -53.55 -48.57 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 40.5 mt -53.48 -52.9 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.3 mm -52.74 -41.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.4 mm-40 -68.12 -32.32 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -68.93 -30.86 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -88.09 -17.31 31.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -96.62 -26.43 15.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -54.0 -41.4 67.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -80.96 142.59 52.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.19 103.15 12.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 582' ' ' LEU . 2.1 mm? -46.25 -48.52 17.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -53.63 -58.12 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 71.1 m -77.42 167.64 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -121.15 82.48 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 13.3 p -173.47 153.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -125.82 82.56 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -75.96 123.84 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 60.69 108.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 55.7 t -119.72 77.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -140.46 179.63 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 150.07 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 9.0 m -105.38 -63.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 2.1 t -107.19 124.44 49.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -78.96 -81.78 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.5 3.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 94.0 p -130.01 100.93 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.0 t -95.4 163.62 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 505' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 506' ' ' GLN . 95.3 mt-30 -55.14 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 505' ' ' GLN . 43.3 mt-30 -36.93 -46.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.01 -49.39 76.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 42.6 m -48.44 -51.56 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.478 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -62.45 -39.43 93.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.85 -47.41 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -68.35 -44.89 74.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.37 -45.69 69.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.73 -52.15 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' PHE . . . . . 0.583 ' CE1' ' NH2' ' A' ' 517' ' ' ARG . 6.3 t80 -47.74 -61.03 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.33 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.583 ' NH2' ' CE1' ' A' ' 514' ' ' PHE . 35.6 ttp180 -53.59 -45.29 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' ASP . . . . . 0.484 ' OD1' ' NE ' ' A' ' 522' ' ' ARG . 2.4 t70 -61.73 -53.85 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 6.1 tmmm? -49.34 -62.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 51.9 m -62.04 -39.33 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -47.34 -51.0 20.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' A' ' 518' ' ' ASP . 1.2 mpp_? -68.27 -45.55 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -53.3 -43.56 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -80.74 1.81 28.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 25.0 t0 54.31 45.0 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -134.87 169.11 17.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.0 p -69.24 165.34 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -69.35 -56.22 8.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -48.1 -56.34 9.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -40.1 -48.02 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 93.3 t -56.88 -67.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.58 119.7 5.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.73 177.01 5.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -72.51 -59.37 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -45.62 -53.55 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.456 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.7 ttm -58.75 -56.9 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.3 ttm -44.62 -42.48 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.61 -60.39 2.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -38.6 -45.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.468 HD11 ' SG ' ' A' ' 554' ' ' CYS . 51.9 mt -67.05 -56.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.54 -30.9 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -80.63 -34.84 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.31 -46.54 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.564 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.5 mt 52.06 52.11 10.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.74 113.72 3.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.74 -26.34 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.413 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.2 mm-40 -101.85 157.22 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.477 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -20.78 34.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -64.33 -43.12 95.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.79 -26.08 38.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.8 mp -82.64 -30.0 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.445 ' CG2' HG21 ' A' ' 558' ' ' VAL . 53.3 mt -76.83 -36.9 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.84 79.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.468 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -41.82 -36.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.4 p -102.56 151.96 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.7 p-10 -165.89 106.96 0.73 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.76 -178.0 15.78 Favored 'Cis proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.359 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 559' ' ' PRO . 59.5 t -99.76 133.46 21.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.3 Cg_endo -69.8 160.98 47.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.85 14.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 564' ' ' GLN . 86.4 mt -96.59 -73.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 561' ' ' LEU . 90.1 t -37.34 -36.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -77.12 -41.21 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 561' ' ' LEU . 10.5 tt0 -68.22 -53.36 25.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -94.56 24.77 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.477 HD11 ' O ' ' A' ' 548' ' ' PRO . 7.3 tp -50.8 -43.38 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.7 m120 -52.32 -45.45 65.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.25 -53.23 58.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 52.4 mmm -51.35 -50.26 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.408 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.3 t-160 -51.97 -53.83 36.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 75.9 mt -48.55 -48.27 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.87 -53.36 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 544' ' ' LEU . 27.4 mm -50.96 -40.82 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.49 -32.2 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.99 -25.9 63.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.06 -26.89 22.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -87.52 -37.15 17.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 579' ' ' MET . 13.8 pt-20 -48.06 -42.5 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' MET . . . . . 0.409 ' N ' ' HG3' ' A' ' 578' ' ' GLU . 4.9 ppp? . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -49.21 -54.34 17.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -42.97 -43.5 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.11 -52.29 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 20.6 m -50.68 -38.85 49.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -55.32 -43.6 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -60.29 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.18 -50.85 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 32.5 mt -59.7 -45.54 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.43 -43.6 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.97 12.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.458 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 26.7 t90 -49.04 -53.1 21.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.458 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 14.9 ttp180 -51.61 -68.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 521' ' ' ALA . 30.8 t0 -54.05 -28.92 41.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -67.26 -67.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.428 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 33.8 m -54.62 -20.28 7.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -49.64 -47.52 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.06 -53.14 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -50.32 -45.97 55.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -76.42 -21.35 56.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.97 48.31 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' GLU . . . . . 0.537 ' OE2' ' CD2' ' A' ' 530' ' ' TYR . 7.7 tt0 -135.99 171.44 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 t -59.19 154.52 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 529' ' ' GLY . 52.5 m-85 -63.82 -58.3 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -38.23 -56.06 1.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.537 ' CD2' ' OE2' ' A' ' 526' ' ' GLU . 6.2 t80 -45.29 -58.23 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.517 ' HA ' HD12 ' A' ' 561' ' ' LEU . 90.3 t -47.28 -63.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.9 tp -164.62 117.86 0.98 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.3 Cg_endo -69.77 177.85 5.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.9 -60.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -43.75 -47.36 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.451 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 52.8 ttm -66.09 -56.09 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 41.7 ttp -46.58 -47.6 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.99 -54.6 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -40.63 -51.7 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.44 -50.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -51.73 -36.22 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.85 -38.07 46.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -62.03 -41.7 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 33.5 mt 55.05 51.9 7.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.565 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 113.77 3.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 13.1 pttm -57.16 -42.88 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.28 160.3 37.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.6 Cg_endo -69.75 -18.85 36.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -70.07 -33.34 71.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.58 72.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.6 mp -78.94 -33.22 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.543 ' CG2' HG21 ' A' ' 558' ' ' VAL . 57.6 mt -75.86 -32.85 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.77 74.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.1 m -62.49 -61.42 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.11 119.73 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.4 p30 -149.32 108.86 3.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.77 173.86 42.91 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 -0.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.543 HG21 ' CG2' ' A' ' 552' ' ' ILE . 53.7 t -92.4 129.99 39.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.8 Cg_endo -69.73 160.4 49.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.49 10.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 531' ' ' VAL . 98.5 mt -102.51 -63.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.621 HG13 ' SD ' ' A' ' 569' ' ' MET . 86.1 t -44.62 -37.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -74.26 -40.05 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.63 -59.05 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -87.06 19.01 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.4 tp -47.9 -47.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.558 ' N ' HG23 ' A' ' 566' ' ' ILE . 12.1 m120 -48.06 -52.52 19.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.73 -55.15 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.621 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.4 mtp -48.11 -47.7 34.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.0 t-160 -54.88 -50.34 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.76 -47.18 64.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.52 -47.19 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.565 HG21 ' O ' ' A' ' 545' ' ' PRO . 29.1 mm -57.1 -37.39 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.54 -37.82 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.02 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 546' ' ' LYS . 75.0 mtp180 -72.43 -38.92 68.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.56 -46.07 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.3 ptm . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -65.26 -49.29 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -52.15 -45.0 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.59 -54.12 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 32.6 m -45.48 -54.76 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -55.71 -47.81 76.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.06 -51.58 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -59.22 -47.45 85.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 572' ' ' LEU . 52.2 mt -53.67 -50.36 65.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.416 HD23 HD12 ' A' ' 572' ' ' LEU . 94.0 mt -63.14 -43.52 98.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.01 -53.49 26.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.63 92.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.422 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 47.3 t90 -55.53 -58.63 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.422 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 22.5 ttp180 -53.77 -53.21 55.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -53.23 -42.25 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -64.39 -59.79 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 18.6 m -55.61 -34.92 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -41.92 -53.81 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -72.1 -40.8 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -52.27 -44.74 65.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 525' ' ' ASP . 81.4 mm-40 -100.84 21.3 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 524' ' ' GLU . 43.5 m-20 34.81 43.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 530' ' ' TYR . 18.8 mm-40 -112.03 171.67 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 531' ' ' VAL . 30.1 p -92.62 163.72 13.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.92 -59.42 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.1 -57.13 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 526' ' ' GLU . 50.7 t80 -49.53 -63.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.477 ' HA ' HD12 ' A' ' 561' ' ' LEU . 97.9 t -49.96 -66.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 16.0 tp -158.08 110.14 1.74 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.7 Cg_endo -69.72 158.83 55.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -54.61 -51.53 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.6 p-80 -46.19 -49.82 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.682 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 47.3 tpp -64.75 -49.4 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.1 ttm -51.66 -48.44 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.98 -60.4 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -39.99 -45.2 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.7 -56.06 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -47.86 -35.74 10.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -80.71 -39.11 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' ' 577' ' ' ARG . 47.5 mt 58.56 54.66 5.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.604 0.716 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.707 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.8 Cg_endo -69.73 105.44 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -56.58 -30.05 62.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.439 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 5.6 mm-40 -99.02 159.37 30.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.62 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.73 -22.82 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.739 2.293 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.65 -31.03 36.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.3 mp -76.71 -20.6 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 558' ' ' VAL . 60.4 mt -90.86 -38.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 30.3 p -50.22 -28.85 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 558' ' ' VAL . 67.6 m -95.67 136.57 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 23.4 t-20 -162.42 105.02 1.09 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.4 Cg_endo -69.74 176.33 32.99 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.326 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 555' ' ' CYS . 83.9 t -101.78 123.86 42.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.486 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.1 Cg_endo -69.76 168.92 20.18 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -38.48 7.81 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 531' ' ' VAL . 65.1 mt -60.78 -67.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 559' ' ' PRO . 96.3 t -39.63 -37.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.17 -34.94 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' LEU . 9.5 tt0 -69.55 -54.61 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -93.17 23.96 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -55.0 -28.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.85 -47.33 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.39 -49.15 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.7 mtp -52.87 -52.09 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -53.1 -47.04 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.26 -45.2 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 513' ' ' LEU . 60.5 mt -57.32 -55.75 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.707 HG21 ' O ' ' A' ' 545' ' ' PRO . 38.8 mm -49.21 -38.48 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -71.78 -31.44 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.77 -23.41 60.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.43 -25.58 23.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.481 ' NE ' ' O ' ' A' ' 544' ' ' LEU . 5.5 mtt-85 -92.23 -40.52 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.2 -39.6 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.862 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.766 0.317 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -54.01 -45.77 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -54.46 -46.42 73.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 48.9 mt -57.86 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.42 HG21 ' HA ' ' A' ' 576' ' ' ALA . 54.9 m -50.73 -56.0 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.07 -51.18 64.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 74.6 t80 -50.05 -53.99 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -52.29 -53.29 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.417 ' HB3' HD22 ' A' ' 572' ' ' LEU . 37.0 mt -52.42 -53.86 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 514' ' ' PHE . 38.4 mt -54.28 -65.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 513' ' ' LEU . 26.6 t80 -34.35 -54.09 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.38 -62.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -43.96 -42.62 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.616 HH12 ' HB2' ' A' ' 521' ' ' ALA . 2.8 ttt-85 -57.01 -64.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -40.88 -50.05 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -50.83 -52.06 45.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 23.3 m -60.73 -36.18 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.616 ' HB2' HH12 ' A' ' 517' ' ' ARG . . . -68.53 -21.29 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.55 -31.04 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ARG . . . . . 0.469 ' CG ' ' OE2' ' A' ' 524' ' ' GLU . 6.4 ptm180 -91.26 -38.09 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.469 ' OE2' ' CG ' ' A' ' 523' ' ' ARG . 0.2 OUTLIER -70.85 -35.57 72.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 12.1 t70 72.0 51.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 530' ' ' TYR . 22.6 mt-10 -129.63 174.14 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.1 p -64.88 168.32 6.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' TYR . . . . . 0.455 ' O ' ' NH2' ' A' ' 517' ' ' ARG . 11.1 m-85 -83.84 -22.28 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -97.24 33.57 5.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 561' ' ' LEU . 5.2 t80 -124.64 -67.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.707 HG13 HD13 ' A' ' 561' ' ' LEU . 45.4 t -47.23 -51.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.3 tp -156.51 105.01 2.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.9 Cg_endo -69.73 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.83 -49.67 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.54 ' CG ' ' N ' ' A' ' 536' ' ' MET . 10.7 p80 -54.52 -48.43 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.54 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 34.9 ttm -63.75 -55.45 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 22.8 ttm -48.53 -58.91 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.0 mt -53.17 -56.86 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -39.36 -60.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.83 -57.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.88 -35.92 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -81.94 -39.83 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -55.32 -49.06 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 38.8 mt 62.67 49.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.81 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -50.09 -27.7 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 551' ' ' ILE . 12.3 mt-10 -103.4 160.0 27.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.3 Cg_endo -69.76 -27.68 26.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -55.82 -30.68 57.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.9 mp -73.54 -23.89 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.423 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -85.06 -33.17 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.9 m -67.27 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.8 p -60.32 115.08 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 4.7 t-20 -142.39 108.63 5.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 177.55 28.38 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.369 -0.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.443 HG13 ' SG ' ' A' ' 555' ' ' CYS . 46.2 t -93.34 124.84 56.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.46 56.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.68 8.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 531' ' ' VAL . 64.5 mt -100.34 -69.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.561 HG13 ' SD ' ' A' ' 569' ' ' MET . 78.4 t -39.67 -36.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.02 -37.07 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 561' ' ' LEU . 24.9 tt0 -71.81 -52.24 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -90.85 21.68 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.472 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.5 tp -53.39 -31.18 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.1 -48.88 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.86 -50.81 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.561 ' SD ' HG13 ' A' ' 562' ' ' VAL . 60.2 mtp -52.9 -47.99 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -55.07 -48.9 72.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 82.8 mt -52.53 -45.39 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 512' ' ' LEU . 47.5 mt -57.25 -49.54 75.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.47 -43.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.61 -39.17 92.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.55 -43.15 99.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -65.41 -35.61 81.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 13.8 mtp-105 -78.94 -31.84 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.85 -49.21 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.514 0.673 . . . . 0.0 110.87 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -57.22 -51.51 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -44.19 -45.89 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.5 mt -64.91 -53.48 45.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 25.3 m -45.28 -54.04 7.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.64 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -45.24 -41.31 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -65.81 -52.52 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 572' ' ' LEU . 46.8 mt -49.79 -48.95 50.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.97 -48.08 82.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -47.87 -64.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -47.58 -47.56 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -57.43 -50.14 73.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -48.28 -50.65 29.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -58.09 -47.83 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 520' ' ' THR . 2.9 tmmm? -49.17 -61.52 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.453 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.9 m -64.56 -37.67 88.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.19 -36.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.81 -54.77 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -49.68 -47.98 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.8 -34.33 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 70.0 42.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -128.79 166.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.6 t -62.17 132.58 53.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 529' ' ' GLY . 60.8 m-85 -43.08 -52.46 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.86 -51.84 2.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 561' ' ' LEU . 2.6 t80 -54.43 -55.61 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 88.2 t -47.72 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.433 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 11.9 tp -164.31 108.47 0.88 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.73 -173.06 0.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -74.23 -52.67 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 7.8 p80 -48.21 -50.76 28.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.66 -60.59 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 5.4 ttp -45.01 -37.79 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.41 -47.72 66.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -49.62 -46.22 49.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.46 ' CG1' ' SG ' ' A' ' 554' ' ' CYS . 11.0 mt -72.66 -53.09 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.33 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -83.94 -44.91 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.65 -53.57 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 26.9 mt 58.07 51.54 4.47 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.66 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.82 135.88 31.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 8.1 ptmm? -67.0 -42.31 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.409 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 2.9 mm-40 -91.4 160.61 36.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.78 -7.0 19.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.73 -50.5 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.43 -31.78 9.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -73.56 -29.92 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.418 ' CG2' HG21 ' A' ' 558' ' ' VAL . 54.9 mt -77.45 -33.86 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -69.81 -45.89 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.46 ' SG ' ' CG1' ' A' ' 540' ' ' ILE . 3.9 p -39.15 -30.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 558' ' ' VAL . 0.9 OUTLIER -103.86 155.22 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.1 t-20 -173.37 106.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.74 177.86 27.37 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.343 -0.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.639 HG22 ' SG ' ' A' ' 555' ' ' CYS . 92.5 t -100.61 124.01 43.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.25 38.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.3 9.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 530' ' ' TYR . 76.1 mt -93.36 -70.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.508 HG13 ' SD ' ' A' ' 569' ' ' MET . 94.3 t -40.59 -38.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -72.38 -46.1 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.49 -56.72 15.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -84.31 14.31 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.534 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.8 tp -47.5 -33.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.32 -52.36 58.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.18 -50.22 74.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.508 ' SD ' HG13 ' A' ' 562' ' ' VAL . 35.0 mtp -52.09 -55.09 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.6 t-160 -48.53 -49.38 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 92.7 mt -52.7 -47.0 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 512' ' ' LEU . 51.8 mt -55.58 -44.07 76.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 545' ' ' PRO . 30.3 mm -58.54 -47.23 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -60.85 -34.02 73.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.68 -47.28 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.5 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 578' ' ' GLU . 71.5 mtp180 -76.36 -41.11 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 577' ' ' ARG . 7.3 mt-10 -34.22 -53.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.539 0.685 . . . . 0.0 110.884 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.02 -67.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -41.22 -46.75 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.03 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.7 m -49.23 -46.71 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.663 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -69.23 -39.19 78.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 510' ' ' PHE . 3.6 t80 -55.63 -42.69 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -71.36 -43.66 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.3 -47.99 83.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.18 -55.57 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -44.73 -61.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -55.37 -51.08 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 7.2 t90 -50.48 -42.54 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.796 ' HE ' HD23 ' A' ' 532' ' ' LEU . 16.7 ttm180 -61.07 -62.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 518' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 518' ' ' ASP . 0.2 OUTLIER -40.15 -44.9 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.14 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 29.3 m -58.15 -29.1 65.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.78 -54.53 46.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -59.21 -47.72 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -57.8 -45.08 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -81.81 4.34 22.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.98 39.66 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.68 167.45 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.8 t -71.87 137.95 47.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -43.14 -55.82 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -60.8 -53.47 45.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 530' ' ' TYR . 6.0 t80 -40.09 -48.83 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 561' ' ' LEU . 98.2 t -54.23 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.796 HD23 ' HE ' ' A' ' 517' ' ' ARG . 12.4 tp -146.26 118.85 5.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 164.23 35.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 535' ' ' HIS . 73.3 m-20 -68.39 -66.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 9.0 p80 -35.36 -48.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.463 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.9 ttm -59.64 -60.52 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 50.5 ttp -42.98 -50.8 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.6 mt -51.95 -59.27 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -43.95 -41.94 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 554' ' ' CYS . 22.9 mt -70.66 -57.62 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.61 -27.56 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -89.0 -24.72 22.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -80.02 -42.45 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.545 ' HA ' HG23 ' A' ' 573' ' ' ILE . 60.8 mt 50.94 53.61 14.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.476 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.75 113.74 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -47.67 -52.38 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -81.13 155.62 72.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.663 0.744 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.54 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.2 Cg_endo -69.72 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.09 -39.91 75.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.26 -25.97 63.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.552 ' HB ' HD11 ' A' ' 566' ' ' ILE . 4.7 mp -80.68 -20.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.57 -31.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.91 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 540' ' ' ILE . 7.0 p -48.9 -34.05 11.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.7 p -97.17 142.34 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.4 p30 -164.42 107.51 0.87 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.79 176.98 30.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.331 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.515 HG13 ' SG ' ' A' ' 555' ' ' CYS . 37.2 t -97.1 126.87 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.68 48.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.47 12.08 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 531' ' ' VAL . 78.4 mt -94.87 -74.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 561' ' ' LEU . 71.7 t -36.77 -38.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -75.16 -42.13 56.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.5 tt0 -65.02 -50.96 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -97.97 22.5 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.552 HD11 ' HB ' ' A' ' 551' ' ' ILE . 5.3 tp -51.55 -40.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.423 ' N ' HG23 ' A' ' 566' ' ' ILE . 60.5 m-20 -54.38 -53.42 54.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.9 tp10 -56.77 -54.08 50.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 54.4 mtp -50.83 -51.24 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.45 -52.54 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.5 mt -49.09 -52.97 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 36.6 mt -50.06 -50.5 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.545 HG23 ' HA ' ' A' ' 544' ' ' LEU . 17.6 mm -51.72 -46.16 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.605 ' N ' HE21 ' A' ' 574' ' ' GLN . 2.8 mm-40 -66.1 -35.9 81.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.34 -22.21 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.663 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -92.16 -39.83 11.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -35.92 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -45.25 -50.61 11.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.0 ppp? . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.697 . . . . 0.0 110.923 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -53.65 -53.12 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -50.21 -53.1 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.12 -52.97 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.457 HG21 ' SD ' ' A' ' 579' ' ' MET . 95.1 m -51.35 -47.92 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.37 -57.77 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 48.3 t80 -43.13 -43.96 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.17 -57.34 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 55.1 mt -41.4 -48.41 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.58 -58.4 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -37.44 -61.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -52.15 -55.23 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -49.38 -47.32 47.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 14.5 ttt-85 -52.69 -51.38 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -64.07 -44.63 91.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.5 OUTLIER -52.65 -51.84 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 92.5 m -75.53 -33.5 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.42 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -54.63 -51.92 63.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.79 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -72.35 -28.18 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 66.06 48.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -132.51 173.89 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -63.3 128.74 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' TYR . . . . . 0.43 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 55.0 m-85 -43.41 -51.11 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -54.87 -48.66 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -43.95 -47.31 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 63.8 t -53.14 -65.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.19 119.89 2.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.577 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.3 Cg_endo -69.82 176.66 6.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -72.57 -55.46 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.577 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 13.3 p80 -46.27 -50.3 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 555' ' ' CYS . 42.0 tpp -61.13 -57.94 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttm -45.5 -50.99 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -58.46 -56.4 22.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 554' ' ' CYS . 1.7 tmtp? -44.72 -39.44 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.03 -57.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -43.48 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.45 -38.27 68.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -62.05 -51.91 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 58.8 mt 60.32 52.58 3.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.77 114.52 3.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -56.18 -33.86 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -95.71 159.32 32.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.677 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -22.08 32.7 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.405 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -61.59 -42.4 98.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -56.56 -25.74 50.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -81.42 -19.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 558' ' ' VAL . 63.8 mt -90.88 -37.77 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 539' ' ' LYS . 30.3 p -46.55 -34.97 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 16.4 m -87.57 109.38 19.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 557' ' ' PRO . 37.8 t30 -135.58 102.7 10.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 555' ' ' CYS . 53.6 Cg_endo -69.74 -168.48 4.42 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.316 -0.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 552' ' ' ILE . 89.5 t -107.77 125.78 31.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.41 42.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.57 36.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.56 -70.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.564 HG13 ' SD ' ' A' ' 569' ' ' MET . 97.8 t -37.52 -44.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 566' ' ' ILE . 6.4 tpt180 -69.38 -43.65 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -62.45 -56.09 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.02 22.23 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.523 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.7 tp -52.7 -34.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.95 -50.31 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.58 -51.49 69.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.564 ' SD ' HG13 ' A' ' 562' ' ' VAL . 43.2 mtp -51.2 -51.97 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -52.03 -51.08 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 76.5 mt -50.15 -47.12 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.12 -52.73 62.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 45.9 mm -53.37 -37.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.62 -34.98 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -66.83 -28.77 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -89.77 -36.54 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -75.18 -34.12 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.02 -38.13 87.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' MET . . . . . 0.457 ' SD ' HG21 ' A' ' 508' ' ' THR . 17.9 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.508 HG22 ' CE ' ' A' ' 579' ' ' MET . 88.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -50.91 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -39.03 -60.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 39.1 mt -51.72 -40.99 61.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 39.4 m -57.7 -51.94 67.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -61.59 -41.12 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.64 -56.11 22.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.31 -48.74 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 572' ' ' LEU . 64.1 mt -51.97 -45.63 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.461 HD13 ' HG3' ' A' ' 537' ' ' MET . 47.3 mt -57.96 -51.41 69.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -48.48 -59.59 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.53 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -63.62 -39.49 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 521' ' ' ALA . 28.9 ttp85 -55.69 -41.29 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.01 -51.72 23.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.1 tmmm? -42.31 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.458 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.2 m -69.76 -40.52 76.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -42.96 -41.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.066 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 522' ' ' ARG . 12.4 mtp-105 -74.18 -45.94 45.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -55.21 -39.72 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -90.18 -6.12 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 40.4 53.97 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -131.0 175.86 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.7 m -64.8 128.85 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -46.03 -46.96 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.95 -59.46 9.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -40.13 -48.45 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.965 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 92.6 t -52.66 -64.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.7 tp -155.56 116.17 2.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.5 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -74.51 -48.76 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 16.3 p80 -52.75 -49.93 64.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 28.9 tpp -66.21 -53.39 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' MET . . . . . 0.479 ' HA ' HD21 ' A' ' 532' ' ' LEU . 17.9 ttp -47.61 -57.32 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 539' ' ' LYS . 21.4 mt -56.53 -58.57 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 538' ' ' LEU . 31.3 tttp -36.75 -46.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.49 -54.37 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -52.07 -27.44 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -87.87 -40.23 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.14 -32.02 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.5 mt 48.02 52.92 13.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.8 Cg_endo -69.71 91.99 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -44.81 -28.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 18.9 mt-10 -97.9 156.82 35.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.642 ' HA ' HD13 ' A' ' 551' ' ' ILE . 52.8 Cg_endo -69.8 -23.03 31.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -63.87 -45.69 88.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.48 -31.99 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.4 mp -76.46 -20.47 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.601 HD11 HG12 ' A' ' 566' ' ' ILE . 42.2 mt -91.11 -37.07 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.06 -34.74 71.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 20.2 p -51.74 -35.36 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.03 149.76 21.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -168.72 109.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.75 174.69 39.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.33 127.21 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.78 48.44 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.0 mt -90.63 -68.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 561' ' ' LEU . 72.9 t -36.61 -47.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -43.83 82.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 561' ' ' LEU . 1.3 tm0? -62.11 -56.54 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.26 16.81 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 552' ' ' ILE . 4.3 tp -48.49 -34.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.98 -49.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.63 -50.88 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 37.1 mtp -51.27 -55.39 18.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -49.38 -47.77 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 71.8 mt -53.16 -46.48 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 512' ' ' LEU . 48.7 mt -55.96 -57.72 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 37.1 mm -47.36 -39.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -68.27 -33.31 74.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.78 -26.11 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -87.33 -21.72 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -92.77 -40.87 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.57 -34.99 8.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' MET . . . . . 0.508 ' CE ' HG22 ' A' ' 504' ' ' THR . 17.7 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.714 0.292 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.98 -45.41 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.84 -49.24 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.03 -48.11 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.44 HG21 ' SD ' ' A' ' 579' ' ' MET . 90.1 m -48.94 -52.99 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.44 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.76 -43.58 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -61.98 -54.75 37.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.33 -52.93 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.65 -52.56 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -41.99 -53.19 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.95 91.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -51.96 -55.01 22.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.489 ' HG3' ' CG1' ' A' ' 531' ' ' VAL . 27.9 ttp180 -56.32 -45.35 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -44.32 80.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 519' ' ' LYS . 1.7 ttpm? -65.55 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 57.4 m -50.95 -42.21 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -45.29 -41.31 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.93 -48.36 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -54.61 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.93 -33.67 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 3.7 t70 73.45 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' GLU . . . . . 0.583 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -117.22 162.29 18.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.4 m -58.86 137.1 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -48.95 -52.46 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.46 -45.12 37.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 75.2 t80 -55.5 -56.45 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.919 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 517' ' ' ARG . 61.4 t -47.69 -61.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.7 tp -162.78 118.9 1.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.74 171.93 13.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -71.24 -50.27 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.587 ' CG ' ' N ' ' A' ' 536' ' ' MET . 1.2 p80 -51.5 -50.68 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.656 ' HE3' ' HA ' ' A' ' 555' ' ' CYS . 30.4 tpp -60.66 -50.06 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 27.7 ttp -50.79 -43.8 58.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.27 -61.58 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -40.15 -46.12 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.43 -54.99 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.47 -40.67 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.62 -53.1 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 50.7 mt 61.62 53.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.622 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.83 124.68 11.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.98 64.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -103.96 157.11 34.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.753 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.79 -1.79 9.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -78.44 -51.86 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.68 -35.58 16.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -69.53 -25.09 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -89.39 -31.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.72 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 28.4 p -42.6 -37.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.656 ' HA ' ' HE3' ' A' ' 536' ' ' MET . 89.1 m -90.29 131.1 36.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.1 p-10 -162.56 105.0 1.07 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.76 170.4 58.66 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.308 -0.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 555' ' ' CYS . 73.6 t -97.09 128.02 36.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.675 0.75 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.501 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.76 164.93 32.7 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.6 mt -96.84 -70.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.501 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.2 t -36.56 -39.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 566' ' ' ILE . 7.9 tpt180 -78.0 -46.24 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.52 -57.53 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.92 21.09 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.0 tp -51.0 -46.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.521 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.3 m120 -48.14 -50.52 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.22 -54.64 44.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.8 mtp -49.29 -52.02 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.12 -53.75 25.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 87.7 mt -49.3 -44.37 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 64.9 mt -56.46 -50.66 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.622 HG21 ' O ' ' A' ' 545' ' ' PRO . 23.6 mm -53.88 -39.44 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.72 -33.66 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.04 -35.7 81.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -81.87 -36.63 28.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -74.99 -30.69 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -42.15 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 508' ' ' THR . 19.3 ptm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.404 ' CG2' ' HE1' ' A' ' 579' ' ' MET . 91.1 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.743 0.306 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.46 -60.4 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -41.52 -42.31 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.22 -53.37 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.42 ' HB ' ' HB1' ' A' ' 576' ' ' ALA . 13.4 m -46.92 -45.87 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.79 -48.04 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.6 -44.56 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -65.45 -52.57 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 81.8 mt -48.05 -48.76 33.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.54 -46.05 91.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -49.06 -48.05 44.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -53.27 -42.18 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -58.08 -59.08 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -54.06 -48.83 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -57.45 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 m -51.15 -39.06 55.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.11 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.63 -58.8 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -52.26 -39.5 60.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -76.89 -25.74 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 61.26 45.53 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.14 173.16 11.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.5 t -59.85 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -49.97 -49.38 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.46 -53.24 42.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -41.14 -57.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.697 ' HA ' HD12 ' A' ' 561' ' ' LEU . 80.1 t -41.24 -60.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.8 tp -163.7 119.14 1.12 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.487 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 176.24 7.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -73.84 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.487 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 12.6 p80 -38.33 -49.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.42 -59.5 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 10.1 ttp -38.56 -57.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.6 mt -57.89 -50.34 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 554' ' ' CYS . 35.9 tttm -43.94 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.85 -58.57 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.85 -39.32 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -71.97 -45.6 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.46 -46.65 73.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 40.6 mt 62.8 55.01 2.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.8 123.41 10.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.3 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 19.1 ptmt -69.51 -41.7 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.3 161.85 29.74 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -78.31 -43.96 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -53.75 -32.79 48.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -71.2 -33.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.685 ' CG2' HG21 ' A' ' 558' ' ' VAL . 49.8 mt -77.26 -38.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.34 51.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 539' ' ' LYS . 2.3 m -60.42 -65.61 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.509 ' HB2' HG22 ' A' ' 558' ' ' VAL . 41.2 m -62.08 126.55 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.2 p30 -155.09 105.11 2.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.78 171.33 54.28 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.344 -0.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.685 HG21 ' CG2' ' A' ' 552' ' ' ILE . 88.2 t -95.32 135.15 23.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.532 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.4 Cg_endo -69.69 162.85 40.45 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.3 20.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 531' ' ' VAL . 73.4 mt -95.9 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 569' ' ' MET . 87.2 t -39.67 -35.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -77.45 -44.65 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.37 28.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.7 tp -55.21 -40.44 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -55.61 -46.11 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.09 -49.64 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.5 mtp -53.73 -49.75 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 2.9 t-160 -54.88 -43.52 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.81 -47.37 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.5 mt -54.25 -55.42 28.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.24 -47.5 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -57.53 -38.78 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.42 ' HB1' ' HB ' ' A' ' 508' ' ' THR . . . -63.2 -42.12 99.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 578' ' ' GLU . 54.4 mtp180 -69.59 -41.56 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 577' ' ' ARG . 36.8 mm-40 -36.73 -48.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' MET . . . . . 0.404 ' HE1' ' CG2' ' A' ' 504' ' ' THR . 8.2 ptm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.13 -62.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -38.4 -58.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.46 -54.15 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 22.9 m -46.05 -47.63 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.14 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.52 -45.13 81.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -62.38 -48.38 80.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.9 -54.97 35.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 68.6 mt -51.42 -49.66 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -50.95 -59.5 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.73 -52.46 23.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -56.11 -43.62 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -52.38 -47.82 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.06 -44.79 95.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -63.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.774 HG23 ' OE2' ' A' ' 524' ' ' GLU . 98.8 m -53.04 -34.29 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.54 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -71.56 -40.17 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.93 -40.13 32.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.774 ' OE2' HG23 ' A' ' 520' ' ' THR . 0.1 OUTLIER -71.19 -33.39 69.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.73 38.49 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -119.38 176.39 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.1 m -61.93 134.01 56.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -52.15 -59.76 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -50.52 -46.89 45.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -45.71 -43.21 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 561' ' ' LEU . 96.3 t -57.59 -66.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 22.4 tp -152.52 117.07 2.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.496 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.75 175.06 8.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -72.71 -58.15 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.496 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 9.4 p80 -43.94 -45.25 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.49 -53.19 20.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.1 ttm -47.89 -45.24 30.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.37 -55.09 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -40.71 -51.41 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.584 HD11 ' SG ' ' A' ' 554' ' ' CYS . 41.6 mt -67.17 -54.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -46.96 -38.77 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -79.19 -40.39 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -58.97 -50.33 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.1 mt 59.1 52.11 3.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.674 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.9 Cg_endo -69.71 128.01 15.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -67.29 -46.45 73.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -84.56 160.52 56.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.531 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -13.27 34.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -69.55 -45.74 68.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -53.98 -20.35 13.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.0 mp -88.31 -24.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.623 HG23 HG21 ' A' ' 558' ' ' VAL . 41.1 mt -85.77 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.12 91.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -44.4 -38.14 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.2 p -102.76 140.39 37.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 0.3 OUTLIER -163.39 109.42 0.99 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 110.886 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.79 172.49 48.87 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 552' ' ' ILE . 54.7 t -95.94 135.88 22.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 558' ' ' VAL . 54.3 Cg_endo -69.73 162.76 40.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -4.24 13.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 531' ' ' VAL . 81.9 mt -99.47 -68.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.91 -36.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -77.45 -41.64 38.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.97 -54.06 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -93.6 22.34 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.437 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.9 tp -50.4 -40.61 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 566' ' ' ILE . 32.1 m120 -55.26 -51.38 66.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.04 -51.05 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.0 mtp -51.55 -50.17 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.85 -47.31 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.71 -46.85 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.4 -53.36 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.674 HG21 ' O ' ' A' ' 545' ' ' PRO . 43.8 mm -50.59 -41.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.07 -28.13 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.93 -27.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -85.78 -43.34 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -43.5 -38.89 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.3 ppp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.761 0.315 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.23 -49.83 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -49.37 -51.7 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.61 -50.38 70.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 16.9 m -49.45 -42.33 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.45 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.69 -43.72 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -62.86 -49.15 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.9 mt -56.83 -52.19 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.25 -59.15 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 514' ' ' PHE . 6.3 t80 -39.46 -49.83 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 49.8 t90 -58.27 -60.23 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -44.73 -50.53 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 521' ' ' ALA . 23.4 t0 -60.4 -38.21 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -61.92 -57.6 11.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 524' ' ' GLU . 24.4 m -59.46 -31.5 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -44.48 -48.22 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.0 -63.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -40.75 -44.67 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.407 ' HG2' HG22 ' A' ' 520' ' ' THR . 69.8 mm-40 -78.32 -34.38 48.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 17.7 t0 69.85 43.46 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -127.82 169.18 14.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.9 t -64.81 139.57 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -43.19 -45.11 5.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 529' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -51.42 -69.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 529' ' ' GLY . 15.7 t80 -34.41 -58.62 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 58.4 t -44.93 -61.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 533' ' ' PRO . 25.1 tp -160.68 119.2 1.52 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.81 167.24 25.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -69.86 -59.98 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 536' ' ' MET . 12.1 p-80 -41.75 -47.12 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 38.2 ttm -63.89 -54.21 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 22.9 ttp -48.4 -58.22 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 21.9 mt -50.54 -57.5 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -42.88 -46.35 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 74.0 mt -69.03 -53.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.58 -36.22 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.55 -44.02 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -56.05 -48.37 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.468 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.2 mt 62.98 52.65 1.66 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.549 0.69 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.13 -29.29 30.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.46 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 6.3 mt-10 -97.63 157.84 34.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.77 -20.84 34.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -64.33 -48.31 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.08 23.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -75.54 -21.41 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 558' ' ' VAL . 59.8 mt -90.09 -37.47 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.23 81.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 22.5 p -45.05 -36.63 3.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.5 p -102.13 133.28 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.4 t30 -157.5 110.74 1.84 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 172.44 48.82 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.352 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 552' ' ' ILE . 50.9 t -95.89 134.95 23.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.74 160.11 50.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.37 11.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 96.7 mt -96.32 -74.33 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.701 HG13 ' SD ' ' A' ' 569' ' ' MET . 80.4 t -37.78 -38.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.477 ' NH1' HG21 ' A' ' 552' ' ' ILE . 12.3 tpt180 -72.56 -42.42 64.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 561' ' ' LEU . 11.9 tt0 -65.75 -48.96 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -99.62 24.54 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.25 -34.81 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -60.62 -48.72 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.549 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.3 tp10 -60.63 -51.44 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.701 ' SD ' HG13 ' A' ' 562' ' ' VAL . 45.9 mtp -51.94 -53.18 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.1 t-160 -51.27 -48.56 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.72 -45.18 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.38 -47.97 80.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.466 HG21 ' O ' ' A' ' 545' ' ' PRO . 48.2 mm -55.3 -40.23 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.86 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -68.17 -42.06 80.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -71.13 -40.2 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -39.86 -50.82 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 13.5 ptm . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.09 -58.02 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.11 -46.95 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.488 HG21 ' HA ' ' A' ' 576' ' ' ALA . 90.7 m -52.84 -49.17 66.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.23 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.19 -46.47 72.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.95 -50.84 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 42.3 mt -50.99 -51.24 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.77 -54.03 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.5 -60.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.37 64.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -54.9 -54.5 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.75 -50.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -57.99 -43.36 86.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -63.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 521' ' ' ALA . 57.7 m -56.21 -46.62 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -34.31 -53.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -58.72 -60.23 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 25.2 mmm-85 -46.36 -44.92 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.2 -28.14 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.78 41.76 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 3.6 tp10 -128.59 162.42 27.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 13.1 t -63.35 140.6 58.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -48.87 -58.24 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -39.29 -42.55 1.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.563 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 66.5 t80 -66.41 -49.36 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 93.0 t -58.46 -64.76 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.2 tp -158.95 105.01 1.57 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.732 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.2 Cg_endo -69.75 173.71 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 535' ' ' HIS . 3.7 t-20 -62.86 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.645 ' CG ' ' N ' ' A' ' 536' ' ' MET . 4.1 p80 -36.08 -54.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.645 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 33.8 ttm -57.33 -61.08 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.5 ttp -43.5 -50.91 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.9 -56.71 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -39.7 -57.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.21 -57.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.443 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.19 -40.37 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.88 -40.83 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.0 -47.31 81.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.5 mt 58.1 51.34 4.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.626 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 114.71 3.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 17.6 ptmt -55.86 -41.13 73.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -93.23 161.36 31.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.751 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.522 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.69 -22.59 32.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -66.76 -37.57 84.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.19 -31.36 73.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 4.4 mp -74.46 -33.73 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.579 ' CG2' HG21 ' A' ' 558' ' ' VAL . 47.2 mt -75.45 -36.2 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.48 -60.34 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.478 ' HB2' HG22 ' A' ' 558' ' ' VAL . 33.2 m -62.66 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 19.0 t-20 -154.53 104.97 2.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.75 171.6 52.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.367 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.579 HG21 ' CG2' ' A' ' 552' ' ' ILE . 83.6 t -96.07 125.65 47.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.46 38.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -7.86 22.11 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.708 2.272 . . . . 0.0 112.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 92.2 mt -88.74 -73.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 569' ' ' MET . 88.8 t -39.29 -39.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.14 -42.67 62.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.87 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -84.54 24.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.1 tp -55.38 -47.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.529 ' N ' HG23 ' A' ' 566' ' ' ILE . 45.6 m-80 -46.06 -47.67 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.2 -52.5 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 562' ' ' VAL . 55.6 mtp -51.77 -50.68 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.6 t-160 -52.82 -49.08 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.0 mt -51.85 -47.72 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.69 -46.79 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.626 HG21 ' O ' ' A' ' 545' ' ' PRO . 22.1 mm -57.2 -41.38 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -66.67 -34.28 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -66.25 -42.3 88.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.488 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -63.85 -45.02 91.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 577' ' ' ARG . 15.0 mtp-105 -71.12 -42.89 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -38.48 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 10.1 ptm . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.817 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 55.9 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.742 0.306 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -56.88 -49.39 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -50.92 -40.81 57.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.04 -52.37 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 55.8 m -49.66 -46.42 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -68.25 -46.07 71.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -48.45 -40.49 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.73 -47.14 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.92 -44.52 78.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.96 -53.33 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 514' ' ' PHE . 4.9 t80 -45.59 -49.75 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.39 -58.83 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -49.37 -55.79 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -44.59 -54.45 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.6 -26.68 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -66.22 -49.63 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 96.9 m -67.13 -35.25 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -39.3 -40.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -54.75 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -55.93 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.457 ' OE1' HD21 ' A' ' 561' ' ' LEU . 5.3 mm-40 -71.58 -27.83 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 524' ' ' GLU . 0.4 OUTLIER 48.05 50.8 15.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 524' ' ' GLU . 2.0 mp0 -146.56 172.68 13.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.5 m -59.11 137.76 57.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 529' ' ' GLY . 25.9 m-85 -48.0 -57.18 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.69 -55.13 1.76 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.05 -45.28 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.6 -64.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.5 tp -159.53 122.72 1.98 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.8 Cg_endo -69.71 168.58 21.07 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -69.79 -62.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 536' ' ' MET . 10.3 p80 -40.31 -52.14 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.585 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 18.7 ttm -60.52 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 537' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 536' ' ' MET . 41.5 ttp -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.51 -51.23 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -41.18 -43.24 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.527 HD11 ' SG ' ' A' ' 554' ' ' CYS . 21.9 mt -73.41 -47.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -56.12 -31.96 63.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.65 -45.88 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.07 -43.94 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.452 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.8 mt 56.76 53.31 6.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 54.0 Cg_endo -69.72 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -52.56 -51.95 57.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.6 mm-40 -78.75 159.76 73.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.685 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -19.59 35.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.89 -46.66 88.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.83 -21.18 22.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -85.22 -24.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 55.6 mt -85.62 -51.14 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.98 -27.71 53.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 540' ' ' ILE . 3.1 p -51.72 -32.79 31.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.637 ' HB3' HG22 ' A' ' 558' ' ' VAL . 6.1 t -107.39 152.94 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.3 t30 -168.35 108.42 0.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 110.91 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.78 174.68 39.64 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.343 -0.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 555' ' ' CYS . 90.5 t -109.5 127.05 27.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.78 27.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.457 HD21 ' OE1' ' A' ' 524' ' ' GLU . 59.1 mt -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.28 -34.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 566' ' ' ILE . 11.8 tpt180 -83.39 -46.6 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.96 -54.22 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.09 14.3 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.563 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.6 tp -49.03 -40.92 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 566' ' ' ILE . 11.7 m120 -54.14 -49.94 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 571' ' ' LEU . 5.1 tp10 -58.59 -53.34 59.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 45.1 mtp -50.08 -52.62 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -50.9 -49.74 58.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 568' ' ' GLU . 57.2 mt -51.33 -49.52 61.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 35.6 mt -52.5 -56.28 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.6 mm -48.9 -42.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -68.59 -30.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.13 -26.58 62.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 11.6 mtp-105 -84.42 -38.54 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 577' ' ' ARG . 8.0 pt-20 -36.91 -40.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.4 ppp? . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.604 0.716 . . . . 0.0 110.849 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.743 0.306 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -51.72 -59.03 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -43.5 -49.5 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.39 -50.07 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.8 m -55.21 -53.97 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.95 -43.97 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -52.4 -53.03 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.46 -53.28 56.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.86 -47.94 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 514' ' ' PHE . 89.5 mt -59.88 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 514' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 513' ' ' LEU . 8.5 t80 -34.78 -61.35 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.64 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.62 -51.54 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -47.34 -51.42 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.23 -46.59 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 1.0 OUTLIER -50.42 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 79.5 m -59.05 -40.59 85.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.13 -43.55 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 522' ' ' ARG . 4.3 tmt_? -68.81 -54.31 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -49.87 -43.74 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.11 -34.33 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 8.2 t0 70.92 42.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -126.56 170.45 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 97.4 p -59.12 133.92 56.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -53.27 -42.62 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.26 55.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -48.35 -57.79 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 561' ' ' LEU . 98.2 t -43.41 -62.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.2 tp -159.57 118.77 1.67 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.7 173.41 10.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.759 2.306 . . . . 0.0 112.341 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 533' ' ' PRO . 5.1 p80 -40.09 -54.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.435 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 43.9 ttm -57.67 -58.52 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 536' ' ' MET . 13.5 ttp -36.76 -51.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.58 -57.54 11.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -37.84 -42.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.434 HD11 ' SG ' ' A' ' 554' ' ' CYS . 67.9 mt -70.98 -56.27 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -49.95 -36.74 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -74.7 -38.96 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.6 -45.6 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.457 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.9 mt 55.18 52.9 8.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.8 Cg_endo -69.71 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -47.57 -31.2 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.5 mt-10 -95.99 157.8 35.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.779 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.73 -26.78 27.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.87 -43.39 94.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -55.16 -23.17 31.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -82.92 -21.41 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.98 -46.81 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.55 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 540' ' ' ILE . 11.9 p -52.08 -41.57 62.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.991 ' HB3' HG22 ' A' ' 558' ' ' VAL . 3.7 t -94.06 147.63 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 16.1 p30 -166.69 104.99 0.66 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.5 Cg_endo -69.79 176.87 30.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.329 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 555' ' ' CYS . 91.9 t -112.18 128.91 24.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.2 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.9 30.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 531' ' ' VAL . 96.3 mt -70.63 -63.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.5 t -44.98 -37.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 566' ' ' ILE . 21.9 tpt85 -81.74 -41.26 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -59.47 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -92.86 23.77 4.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.8 tp -53.37 -41.18 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 566' ' ' ILE . 10.7 m-20 -53.93 -50.28 66.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.68 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.1 mtp -50.45 -52.45 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.6 t-160 -49.87 -50.58 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.42 -44.83 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.6 -47.53 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 544' ' ' LEU . 50.3 mm -55.15 -46.26 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -60.88 -42.16 97.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.24 -46.11 79.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -60.78 -31.36 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -81.97 -30.62 31.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -46.09 -46.53 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.861 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.704 0.287 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -57.91 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -42.01 -47.05 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.66 -58.93 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 89.9 m -45.96 -52.23 12.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -58.85 -45.09 90.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.89 -47.75 76.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.62 -44.44 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 572' ' ' LEU . 32.8 mt -60.39 -50.69 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.75 -45.77 85.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -51.41 -61.22 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.84 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -49.53 -50.15 43.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -50.32 -51.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.51 -48.53 81.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -59.99 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 91.0 m -56.94 -56.61 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.01 -28.74 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -76.15 -33.16 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -81.39 -46.18 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -27.59 63.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 64.92 45.15 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.75 178.84 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.3 t -59.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.59 -58.53 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -51.73 -42.24 52.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -46.84 -45.69 20.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.41 . . . . 0.0 110.927 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 561' ' ' LEU . 99.0 t -62.61 -64.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 12.8 tp -155.51 105.02 2.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.7 Cg_endo -69.76 157.65 59.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -51.11 -54.11 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.637 ' CG ' ' N ' ' A' ' 536' ' ' MET . 1.9 p80 -43.58 -53.78 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.637 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 35.3 tpp -64.2 -59.53 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 11.6 ttp -39.18 -48.4 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.68 -53.6 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -49.85 -43.25 48.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 36.0 mt -70.63 -58.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -45.14 28.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -69.12 -44.61 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.02 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.515 ' HA ' HG23 ' A' ' 573' ' ' ILE . 65.9 mt 62.63 54.05 2.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.76 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 0.0 OUTLIER -54.19 -35.0 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 10.9 mt-10 -95.77 161.14 28.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.411 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.8 Cg_endo -69.74 -27.29 26.74 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -56.62 -44.88 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -52.27 -36.01 44.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 5.0 mp -76.22 -23.35 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.448 ' CG2' HG21 ' A' ' 558' ' ' VAL . 51.8 mt -83.94 -41.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.94 68.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 15.2 p -41.25 -35.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.529 ' HB2' HG22 ' A' ' 558' ' ' VAL . 59.9 m -93.19 134.81 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 28.5 t-20 -162.74 104.97 1.05 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.8 172.17 50.41 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 -0.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 555' ' ' CYS . 84.7 t -98.15 126.4 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.02 28.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -4.4 13.91 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 564' ' ' GLN . 42.4 mt -93.02 -75.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 84.8 t -36.29 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -76.52 -41.28 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.3 tt0 -68.13 -54.73 15.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -85.8 18.31 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.418 HG12 HD11 ' A' ' 552' ' ' ILE . 4.4 tp -50.61 -38.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 566' ' ' ILE . 13.0 m120 -58.65 -49.51 77.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.8 -52.95 62.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.418 ' HE1' HD22 ' A' ' 532' ' ' LEU . 36.9 mmm -50.39 -57.52 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.3 t-160 -48.46 -46.08 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 512' ' ' LEU . 42.4 mt -52.72 -48.44 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 544' ' ' LEU . 47.9 mm -55.99 -41.49 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -67.17 -29.02 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.26 -37.31 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -85.85 -21.34 28.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -88.15 -42.03 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.78 -42.6 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.727 0.299 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -52.87 -57.9 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -41.17 -57.37 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 508' ' ' THR . 29.8 mt -49.36 -63.92 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.449 HG21 ' HA ' ' A' ' 576' ' ' ALA . 60.2 m -36.39 -45.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -70.53 -44.39 67.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.17 -49.19 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.04 -44.8 96.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.16 -46.85 82.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.89 -50.41 56.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 514' ' ' PHE . 3.9 t80 -44.53 -51.92 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.76 75.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.07 -54.5 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 20.1 ttp180 -52.42 -56.31 15.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.59 -32.64 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -70.18 -60.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 45.9 m -55.79 -34.42 65.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -40.7 -43.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 522' ' ' ARG . 5.8 mmm180 -69.67 -53.6 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.14 -51.98 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.76 -28.67 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.3 46.06 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -126.0 167.27 15.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 47.6 m -60.68 135.47 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' TYR . . . . . 0.413 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 33.1 m-85 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -47.28 -56.25 8.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -44.54 -44.5 8.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.461 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 74.9 t -58.99 -62.66 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 536' ' ' MET . 18.6 tp -157.86 118.44 1.95 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.76 175.05 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -73.6 -64.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 536' ' ' MET . 9.1 p-80 -38.71 -43.27 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 555' ' ' CYS . 38.3 ttm -68.3 -57.57 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 23.0 ttp -49.06 -55.48 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.65 -53.56 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -43.49 -49.41 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.434 HD13 HG23 ' A' ' 551' ' ' ILE . 93.9 mt -67.77 -58.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.93 -35.18 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -85.25 -35.38 21.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.52 -48.5 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 46.8 mt 63.61 51.82 1.35 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.2 OUTLIER -41.81 -29.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 40.8 mt-10 -97.46 154.64 37.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.725 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -19.39 36.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -67.39 -46.05 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.53 -26.75 24.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -80.91 -21.38 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 HG12 ' A' ' 566' ' ' ILE . 58.9 mt -92.83 -35.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 540' ' ' ILE . 31.7 p -50.01 -29.74 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.493 ' HB3' ' CE ' ' A' ' 536' ' ' MET . 1.3 p -103.21 139.46 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.3 t-20 -157.07 107.82 1.91 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.72 -179.19 18.42 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 -0.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 559' ' ' PRO . 58.6 t -98.95 133.49 22.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.447 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.78 156.62 62.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.01 11.15 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 564' ' ' GLN . 89.7 mt -98.9 -71.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.417 HG13 ' SD ' ' A' ' 569' ' ' MET . 69.5 t -37.77 -36.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -74.57 -40.79 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 561' ' ' LEU . 6.5 mt-30 -69.98 -53.93 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.85 22.08 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.602 HG12 HD11 ' A' ' 552' ' ' ILE . 6.1 tp -54.05 -39.33 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' ASN . . . . . 0.425 ' N ' HG23 ' A' ' 566' ' ' ILE . 15.2 m120 -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.45 -55.72 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.417 ' SD ' HG13 ' A' ' 562' ' ' VAL . 39.3 mtp -48.75 -53.32 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -50.95 -49.71 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.19 -44.41 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.98 -53.2 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 46.3 mm -50.97 -38.77 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -69.81 -33.23 72.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.74 -24.92 61.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -86.6 -27.76 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 578' ' ' GLU . 44.8 mtp85 -86.65 -42.25 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 577' ' ' ARG . 11.2 pt-20 -36.76 -42.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 52.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.705 0.288 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -55.62 -59.85 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -42.18 -58.71 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.73 -44.85 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.485 HG21 ' SD ' ' A' ' 579' ' ' MET . 24.0 m -53.62 -47.89 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.59 90.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -52.58 -44.99 66.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -64.05 -50.86 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 576' ' ' ALA . 45.5 mt -54.26 -46.97 72.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 541' ' ' ALA . 83.9 mt -60.8 -48.54 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -47.65 -60.44 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.28 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' TRP . . . . . 0.514 ' CZ3' ' SD ' ' A' ' 569' ' ' MET . 39.9 t90 -58.9 -41.75 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 34.1 ttt180 -54.28 -54.61 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.38 -38.44 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.3 tmmm? -58.02 -52.47 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.463 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.3 m -74.25 -21.28 59.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -76.55 -42.71 41.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -70.78 -34.17 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -75.76 -47.09 27.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 524' ' ' GLU . 0.0 OUTLIER -79.52 -7.85 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 41.64 52.49 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.83 171.26 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -59.96 131.47 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.6 49.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.28 -42.15 81.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.97 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.456 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 22.3 tp -141.21 108.88 6.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.96 61.6 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 535' ' ' HIS . 54.5 t30 -47.73 -61.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.6 p-80 -37.22 -52.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.612 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 26.2 tpp -65.98 -52.83 46.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 537' ' ' MET . . . . . 0.454 ' HG3' HD13 ' A' ' 513' ' ' LEU . 20.3 ttp -48.61 -61.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 32.0 mt -49.0 -56.85 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -43.64 -43.64 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.876 HD11 ' SG ' ' A' ' 554' ' ' CYS . 70.5 mt -71.31 -58.63 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.544 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -48.58 -30.02 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.7 -34.51 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.36 -52.68 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.739 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.0 mt 61.55 53.0 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 4.2 ptmm? -38.41 -54.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -81.05 156.09 72.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.526 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.83 -42.17 95.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -58.17 -29.11 62.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -78.18 -22.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 21.8 mt -86.22 -40.5 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -43.71 -31.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.86 145.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.8 m120 -165.56 108.04 0.76 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.8 Cg_endo -69.72 175.33 36.86 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.371 -0.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 559' ' ' PRO . 48.2 t -96.93 133.45 24.25 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.7 Cg_endo -69.74 158.6 56.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.18 15.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' GLN . 96.0 mt -96.61 -73.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -37.99 -35.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.8 tpt85 -73.67 -43.11 60.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 561' ' ' LEU . 29.9 tt0 -70.44 -54.37 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.08 21.44 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 551' ' ' ILE . 7.5 tp -54.81 -40.18 51.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -53.68 -45.6 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -63.97 -54.6 31.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' MET . . . . . 0.514 ' SD ' ' CZ3' ' A' ' 516' ' ' TRP . 64.7 mmm -50.53 -50.68 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.8 t-160 -52.03 -53.31 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.95 -49.53 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.82 -54.88 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 544' ' ' LEU . 16.1 mm -46.55 -46.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' GLN . . . . . 0.723 ' N ' HE21 ' A' ' 574' ' ' GLN . 1.3 mm-40 -63.73 -36.63 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 578' ' ' GLU . 20.0 mt-30 -70.18 -21.41 63.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.425 ' HB2' HD12 ' A' ' 512' ' ' LEU . . . -93.31 -35.39 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -40.09 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 579' ' ' MET . 16.2 pt-20 -47.78 -46.76 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 579' ' ' MET . . . . . 0.485 ' SD ' HG21 ' A' ' 508' ' ' THR . 15.1 ptm . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 505' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 506' ' ' GLN . 78.0 mt-30 -52.43 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 506' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 505' ' ' GLN . 55.8 mt-30 -36.65 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.59 -49.4 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.9 m -50.32 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.471 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -64.49 -49.03 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -63.48 -53.53 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.428 ' HB3' HD22 ' A' ' 572' ' ' LEU . 50.9 mt -52.81 -45.09 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.08 -53.11 61.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.73 -51.79 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.11 71.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -52.78 -44.52 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -60.51 -42.66 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 519' ' ' LYS . 0.3 OUTLIER -57.77 -63.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.847 HG22 ' HG2' ' A' ' 524' ' ' GLU . 21.4 m -59.37 -42.35 91.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -33.59 -53.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.05 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -57.51 -42.67 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.847 ' HG2' HG22 ' A' ' 520' ' ' THR . 52.7 mm-40 -70.94 -31.0 67.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 43.4 t0 65.97 41.64 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.73 167.07 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 65.6 p -59.31 152.14 21.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.66 -59.5 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.7 11.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.0 -50.16 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.97 0.414 . . . . 0.0 110.954 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.744 HG13 HD13 ' A' ' 561' ' ' LEU . 57.4 t -61.8 -61.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.0 tp -154.81 105.01 2.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.1 Cg_endo -69.74 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -54.47 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.8 p80 -47.79 -48.81 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 536' ' ' MET . . . . . 0.563 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 31.4 ttm -64.8 -59.71 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 16.5 ttp -45.58 -46.55 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 539' ' ' LYS . 26.8 mt -63.52 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 538' ' ' LEU . 5.7 ttmm -34.44 -38.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.686 HD11 ' SG ' ' A' ' 554' ' ' CYS . 64.9 mt -78.18 -54.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.91 40.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.03 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.95 -53.11 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.465 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 70.6 mt 62.79 52.54 1.74 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.73 109.79 2.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 11.1 ptmm? -52.09 -42.65 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -86.35 158.12 55.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.573 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.6 Cg_endo -69.72 -18.35 37.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -63.69 -48.9 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.425 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -51.23 -29.27 21.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -80.29 -25.55 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.17 -38.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -71.62 -43.13 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.686 ' SG ' HD11 ' A' ' 540' ' ' ILE . 9.6 p -41.81 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 553' ' ' ALA . 1.9 p -115.28 132.92 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 17.0 t-20 -153.44 111.5 2.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 52.9 Cg_endo -69.79 173.46 44.65 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.84 127.84 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 559' ' ' PRO . . . . . 0.601 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.78 161.46 45.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.71 8.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.744 HD13 HG13 ' A' ' 531' ' ' VAL . 94.8 mt -99.15 -64.32 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 559' ' ' PRO . 98.6 t -42.39 -41.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.23 -41.56 57.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.85 -58.79 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -94.69 31.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.3 tp -55.57 -39.91 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -55.8 -47.75 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.87 -49.26 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.03 -51.16 62.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 7.5 t-160 -52.91 -46.86 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 97.2 mt -53.86 -46.48 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 512' ' ' LEU . 38.2 mt -56.45 -48.36 77.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.423 HG23 ' HA ' ' A' ' 544' ' ' LEU . 46.9 mm -56.25 -38.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.52 -30.28 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.35 -33.5 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.3 -26.3 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -84.59 -44.61 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 579' ' ' MET . 24.4 pt-20 -49.63 -40.51 39.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' MET . . . . . 0.414 ' O ' ' SD ' ' A' ' 579' ' ' MET . 5.0 ppp? . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 83.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -52.78 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -39.41 -50.46 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 20.9 mt -52.87 -49.2 66.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 69.9 m -53.1 -48.68 67.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ALA . . . . . 0.487 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -63.92 -48.25 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.02 -45.83 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -65.01 -47.85 76.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.6 -47.67 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.58 -57.2 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -39.29 -58.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.72 -51.92 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -53.64 -42.39 67.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 528' ' ' TYR . 7.5 ttt-85 -56.2 -53.33 58.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -59.37 -40.63 87.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -61.24 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 520' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 94.9 m -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.91 -59.78 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -55.88 -45.53 78.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -63.38 -27.33 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 525' ' ' ASP . 73.9 mm-40 -95.64 19.05 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 524' ' ' GLU . 4.7 t0 36.7 34.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 526' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 8.2 tp10 -120.73 162.18 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.5 t -69.2 149.12 48.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 517' ' ' ARG . 46.2 m-85 -55.82 -60.33 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -42.77 -61.2 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.477 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.429 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 58.4 t80 -36.74 -61.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 531' ' ' VAL . . . . . 0.529 HG13 HD13 ' A' ' 561' ' ' LEU . 99.8 t -43.0 -67.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.4 tp -148.71 108.52 3.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.583 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.0 Cg_endo -69.79 -173.96 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 535' ' ' HIS . 4.5 m120 -73.07 -67.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 6.4 p-80 -35.64 -46.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 37.0 tpp -67.57 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 15.0 ttm -39.22 -63.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 28.9 mt -48.4 -59.48 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -40.73 -51.27 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 540' ' ' ILE . . . . . 0.511 HD11 ' SG ' ' A' ' 554' ' ' CYS . 59.3 mt -65.4 -56.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -48.82 -32.28 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -81.78 -41.97 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.58 -40.45 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.0 mt 54.45 53.27 9.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.649 0.738 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 545' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 102.7 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -52.49 -30.91 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 12.2 mt-10 -96.79 157.77 34.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' PRO . . . . . 0.66 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.2 Cg_endo -69.76 -22.73 31.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.1 -38.88 92.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.83 -19.38 55.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -87.95 -18.62 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 558' ' ' VAL . 42.9 mt -91.28 -35.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' CYS . . . . . 0.511 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -50.33 -44.74 54.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 554' ' ' CYS . 2.2 p -85.51 138.43 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -162.11 107.08 1.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.83 176.93 30.83 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.365 -0.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 552' ' ' ILE . 48.2 t -92.99 131.6 32.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 160.35 50.02 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 531' ' ' VAL . 86.1 mt -96.65 -70.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 561' ' ' LEU . 53.4 t -35.43 -35.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 561' ' ' LEU . 5.2 tpt180 -78.13 -48.6 15.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 561' ' ' LEU . 22.0 tt0 -60.16 -50.75 72.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -98.12 21.6 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.7 tp -49.61 -36.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.38 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.63 -51.12 70.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 49.4 mtp -51.27 -52.77 41.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.97 -47.51 61.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 73.1 mt -53.55 -48.57 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 40.5 mt -53.48 -52.9 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 545' ' ' PRO . 35.3 mm -52.74 -41.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.12 -32.32 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -68.93 -30.86 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.09 -17.31 31.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -96.62 -26.43 15.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -54.0 -41.4 67.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.92 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.7 m -54.24 -47.56 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 39.2 t -164.78 109.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 174.62 109.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 1.6 t -71.29 139.39 49.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 70.6 m -89.08 42.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' GLY . . . . . 0.417 ' C ' ' HD2' ' A' ' 483' ' ' LYS . . . -46.41 -96.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 482' ' ' GLY . 0.7 OUTLIER -139.31 155.62 72.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 84.49 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 35.2 mt -73.31 91.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.738 ' CZ ' ' CE2' ' A' ' 514' ' ' PHE . 81.5 t80 -119.28 78.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.2 t -174.12 127.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.59 49.12 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 490' ' ' SER . 18.0 mt-10 44.96 43.24 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 489' ' ' GLU . 35.0 p 36.1 46.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 118.9 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.68 -34.24 74.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.56 -47.79 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.422 HD11 ' HZ ' ' A' ' 510' ' ' PHE . 8.4 tp -52.92 -42.06 65.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.596 ' CE1' HD21 ' A' ' 507' ' ' LEU . 5.0 t80 -71.29 -53.3 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -99.05 45.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -78.26 -45.23 23.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -124.17 153.1 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -52.05 177.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp 60.22 54.15 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -37.32 149.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 75.2 mt -69.68 140.47 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -87.94 -176.84 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.0 m -46.29 -67.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.443 ' HG3' HD23 ' A' ' 581' ' ' LEU . 95.3 mt-30 -55.14 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 505' ' ' GLN . 55.6 mt-30 -36.93 -46.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 495' ' ' TYR . 21.7 mt -62.01 -49.39 76.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 42.6 m -48.44 -51.56 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.478 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -62.45 -39.43 93.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.422 ' HZ ' HD11 ' A' ' 494' ' ' LEU . 18.6 t80 -51.85 -47.41 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -68.35 -44.89 74.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.37 -45.69 69.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.73 -52.15 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.738 ' CE2' ' CZ ' ' A' ' 486' ' ' PHE . 6.3 t80 -47.74 -61.03 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.33 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.583 ' NH2' ' CE1' ' A' ' 514' ' ' PHE . 35.6 ttp180 -53.59 -45.29 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 2.4 t70 -61.73 -53.85 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 6.1 tmmm? -49.34 -62.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 51.9 m -62.04 -39.33 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -47.34 -51.0 20.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' A' ' 518' ' ' ASP . 1.2 mpp_? -68.27 -45.55 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -53.3 -43.56 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -80.74 1.81 28.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 25.0 t0 54.31 45.0 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -134.87 169.11 17.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.0 p -69.24 165.34 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -69.35 -56.22 8.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -48.1 -56.34 9.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -40.1 -48.02 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 93.3 t -56.88 -67.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.58 119.7 5.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.73 177.01 5.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -72.51 -59.37 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -45.62 -53.55 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.456 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.7 ttm -58.75 -56.9 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.3 ttm -44.62 -42.48 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.61 -60.39 2.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -38.6 -45.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.468 HD11 ' SG ' ' A' ' 554' ' ' CYS . 51.9 mt -67.05 -56.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.54 -30.9 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.432 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 19.7 mt-10 -80.63 -34.84 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.31 -46.54 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.564 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.5 mt 52.06 52.11 10.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.74 113.72 3.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.74 -26.34 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.413 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.2 mm-40 -101.85 157.22 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.477 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -20.78 34.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -64.33 -43.12 95.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.79 -26.08 38.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.8 mp -82.64 -30.0 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.445 ' CG2' HG21 ' A' ' 558' ' ' VAL . 53.3 mt -76.83 -36.9 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.84 79.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.468 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -41.82 -36.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.4 p -102.56 151.96 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.7 p-10 -165.89 106.96 0.73 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.76 -178.0 15.78 Favored 'Cis proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.359 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 559' ' ' PRO . 59.5 t -99.76 133.46 21.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.3 Cg_endo -69.8 160.98 47.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.85 14.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 564' ' ' GLN . 86.4 mt -96.59 -73.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 561' ' ' LEU . 90.1 t -37.34 -36.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -77.12 -41.21 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 561' ' ' LEU . 10.5 tt0 -68.22 -53.36 25.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -94.56 24.77 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.477 HD11 ' O ' ' A' ' 548' ' ' PRO . 7.3 tp -50.8 -43.38 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.7 m120 -52.32 -45.45 65.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.25 -53.23 58.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 52.4 mmm -51.35 -50.26 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.408 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.3 t-160 -51.97 -53.83 36.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 75.9 mt -48.55 -48.27 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.87 -53.36 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 544' ' ' LEU . 27.4 mm -50.96 -40.82 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.49 -32.2 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.99 -25.9 63.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.06 -26.89 22.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -87.52 -37.15 17.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 579' ' ' MET . 13.8 pt-20 -48.06 -42.5 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.409 ' N ' ' HG3' ' A' ' 578' ' ' GLU . 4.9 ppp? -71.15 143.33 88.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 170.18 17.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.443 HD23 ' HG3' ' A' ' 505' ' ' GLN . 11.5 mt -97.44 104.83 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 583' ' ' LYS . 1.5 mm? -43.66 152.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 582' ' ' LEU . 28.9 mmtp -36.73 121.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 23.4 t -163.11 128.17 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.87 106.85 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 12.0 p -106.95 150.52 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -146.67 120.74 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -153.38 165.44 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 147.65 100.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 32.3 m -145.44 143.38 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 125.31 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -158.97 149.11 19.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 29.0 p -172.83 154.2 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 7.0 m -138.1 177.77 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 178.37 83.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.68 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 53.9 p -174.16 150.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -102.07 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.3 m -134.93 124.71 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 40.5 m -153.74 168.27 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 100.93 146.96 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 6.9 t -174.35 164.51 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 47.3 t -89.94 -57.95 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 139.06 95.83 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.85 148.13 64.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 485' ' ' ILE . 54.1 Cg_endo -69.73 166.13 28.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 484' ' ' PRO . 58.3 mt -33.99 149.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 518' ' ' ASP . 8.7 p90 -98.15 115.8 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 488' ' ' ASP . 64.5 m -167.27 150.89 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ASP . . . . . 0.48 ' HA ' ' NE2' ' A' ' 511' ' ' GLN . 9.5 t70 -33.76 -49.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.44 75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 488' ' ' ASP . 4.2 m -139.56 -177.35 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.33 138.24 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.886 HD22 ' O ' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -75.71 -10.46 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.73 ' N ' HD13 ' A' ' 492' ' ' LEU . 28.6 tt0 -47.27 -51.84 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 494' ' ' LEU . 5.3 mp -49.28 -46.38 46.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.55 -44.94 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 496' ' ' ARG . 0.0 OUTLIER -94.11 30.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -74.7 -45.08 46.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -93.55 151.82 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -54.53 -59.3 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -63.78 138.88 58.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -74.78 165.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' ' 507' ' ' LEU . 66.4 mt -110.06 154.65 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 504' ' ' THR . 27.8 t30 -96.16 160.82 14.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.839 HG21 ' H ' ' A' ' 582' ' ' LEU . 87.3 m -36.11 -71.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.542 ' NE2' HD21 ' A' ' 581' ' ' LEU . 68.5 mt-30 -49.21 -54.34 17.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -42.97 -43.5 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 502' ' ' LEU . 83.8 mt -64.11 -52.29 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 20.6 m -50.68 -38.85 49.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -55.32 -43.6 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 488' ' ' ASP . 13.1 mm100 -60.29 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.18 -50.85 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 32.5 mt -59.7 -45.54 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.43 -43.6 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.97 12.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.458 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 26.7 t90 -49.04 -53.1 21.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.458 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 14.9 ttp180 -51.61 -68.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.554 ' HB3' ' CD2' ' A' ' 486' ' ' PHE . 30.8 t0 -54.05 -28.92 41.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -67.26 -67.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.428 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 33.8 m -54.62 -20.28 7.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -49.64 -47.52 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.06 -53.14 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -50.32 -45.97 55.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -76.42 -21.35 56.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.97 48.31 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' GLU . . . . . 0.537 ' OE2' ' CD2' ' A' ' 530' ' ' TYR . 7.7 tt0 -135.99 171.44 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 t -59.19 154.52 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 529' ' ' GLY . 52.5 m-85 -63.82 -58.3 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -38.23 -56.06 1.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.537 ' CD2' ' OE2' ' A' ' 526' ' ' GLU . 6.2 t80 -45.29 -58.23 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.517 ' HA ' HD12 ' A' ' 561' ' ' LEU . 90.3 t -47.28 -63.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.9 tp -164.62 117.86 0.98 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.3 Cg_endo -69.77 177.85 5.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.9 -60.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -43.75 -47.36 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.451 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 52.8 ttm -66.09 -56.09 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 41.7 ttp -46.58 -47.6 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.99 -54.6 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -40.63 -51.7 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.44 -50.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -51.73 -36.22 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.85 -38.07 46.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -62.03 -41.7 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 33.5 mt 55.05 51.9 7.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.565 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 113.77 3.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 13.1 pttm -57.16 -42.88 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.28 160.3 37.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.6 Cg_endo -69.75 -18.85 36.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -70.07 -33.34 71.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.58 72.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.6 mp -78.94 -33.22 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.543 ' CG2' HG21 ' A' ' 558' ' ' VAL . 57.6 mt -75.86 -32.85 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.77 74.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.1 m -62.49 -61.42 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.11 119.73 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.4 p30 -149.32 108.86 3.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.77 173.86 42.91 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 -0.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.543 HG21 ' CG2' ' A' ' 552' ' ' ILE . 53.7 t -92.4 129.99 39.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.8 Cg_endo -69.73 160.4 49.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.49 10.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 531' ' ' VAL . 98.5 mt -102.51 -63.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.621 HG13 ' SD ' ' A' ' 569' ' ' MET . 86.1 t -44.62 -37.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -74.26 -40.05 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.63 -59.05 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -87.06 19.01 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.4 tp -47.9 -47.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.558 ' N ' HG23 ' A' ' 566' ' ' ILE . 12.1 m120 -48.06 -52.52 19.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.73 -55.15 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.621 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.4 mtp -48.11 -47.7 34.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.0 t-160 -54.88 -50.34 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.76 -47.18 64.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.52 -47.19 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.565 HG21 ' O ' ' A' ' 545' ' ' PRO . 29.1 mm -57.1 -37.39 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.54 -37.82 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.02 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 546' ' ' LYS . 75.0 mtp180 -72.43 -38.92 68.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.56 -46.07 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.3 ptm -77.49 147.31 75.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.27 68.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.41 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.542 HD21 ' NE2' ' A' ' 505' ' ' GLN . 1.4 mm? -73.59 102.95 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.839 ' H ' HG21 ' A' ' 504' ' ' THR . 21.9 mt -76.12 51.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -159.45 142.45 14.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.8 m -111.08 91.03 3.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -156.0 145.4 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 587' ' ' ALA . 8.4 p -117.59 -15.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 586' ' ' VAL . . . -36.13 -46.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -41.52 115.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -132.48 -50.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 4.4 t 37.35 51.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.97 107.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -85.84 132.9 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.7 t -100.93 175.7 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 51.0 p -137.56 171.82 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -105.37 140.43 15.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.42 21.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.368 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -137.4 113.86 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 55.5 p -125.91 42.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.2 m -110.66 172.51 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.888 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 95.8 p -61.1 -45.43 94.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 58.62 155.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 5.6 t -92.88 82.94 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 28.8 t -73.59 -56.35 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 122.84 80.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -128.42 155.44 78.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.78 41.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 60.1 mt -92.36 -49.2 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 518' ' ' ASP . 23.3 t80 -90.55 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 488' ' ' ASP . 10.1 t -57.59 -175.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ASP . . . . . 0.406 ' N ' ' OG1' ' A' ' 487' ' ' THR . 22.1 t70 -172.07 157.05 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -85.24 -60.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 69.2 m -72.01 91.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 492' ' ' LEU . 3.1 p90 -125.46 -43.46 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.472 ' N ' ' CG ' ' A' ' 491' ' ' TYR . 7.7 tp -45.01 -42.6 8.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 494' ' ' LEU . 10.0 pt-20 -46.78 -40.76 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 493' ' ' GLU . 22.8 tp -58.89 -50.49 73.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.505 ' CD2' ' HG3' ' A' ' 496' ' ' ARG . 22.3 t80 -47.86 -56.02 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.505 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 6.7 mtp-105 -97.41 46.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -103.65 94.19 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 44.21 45.82 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -145.17 152.07 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -68.6 175.42 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -75.42 159.08 31.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 58.1 mt -125.83 146.79 49.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ASN . . . . . 0.671 ' ND2' ' H ' ' A' ' 506' ' ' GLN . 1.8 p-10 -83.4 -178.03 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.529 HG21 HD23 ' A' ' 582' ' ' LEU . 56.3 m -57.36 -49.56 75.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -65.26 -49.29 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' GLN . . . . . 0.671 ' H ' ' ND2' ' A' ' 503' ' ' ASN . 45.2 mt-30 -52.15 -45.0 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.59 -54.12 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 32.6 m -45.48 -54.76 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -55.71 -47.81 76.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.06 -51.58 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -59.22 -47.45 85.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 572' ' ' LEU . 52.2 mt -53.67 -50.36 65.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.416 HD23 HD12 ' A' ' 572' ' ' LEU . 94.0 mt -63.14 -43.52 98.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.01 -53.49 26.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.63 92.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.422 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 47.3 t90 -55.53 -58.63 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.422 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 22.5 ttp180 -53.77 -53.21 55.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 486' ' ' PHE . 34.1 t0 -53.23 -42.25 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -64.39 -59.79 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 18.6 m -55.61 -34.92 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -41.92 -53.81 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -72.1 -40.8 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -52.27 -44.74 65.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 525' ' ' ASP . 81.4 mm-40 -100.84 21.3 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 524' ' ' GLU . 43.5 m-20 34.81 43.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 530' ' ' TYR . 18.8 mm-40 -112.03 171.67 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 531' ' ' VAL . 30.1 p -92.62 163.72 13.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.92 -59.42 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.1 -57.13 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 526' ' ' GLU . 50.7 t80 -49.53 -63.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.477 ' HA ' HD12 ' A' ' 561' ' ' LEU . 97.9 t -49.96 -66.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 16.0 tp -158.08 110.14 1.74 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.7 Cg_endo -69.72 158.83 55.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -54.61 -51.53 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.6 p-80 -46.19 -49.82 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.682 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 47.3 tpp -64.75 -49.4 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.1 ttm -51.66 -48.44 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.98 -60.4 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -39.99 -45.2 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.7 -56.06 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -47.86 -35.74 10.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -80.71 -39.11 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' ' 577' ' ' ARG . 47.5 mt 58.56 54.66 5.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.604 0.716 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.707 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.8 Cg_endo -69.73 105.44 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -56.58 -30.05 62.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.439 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 5.6 mm-40 -99.02 159.37 30.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.62 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.73 -22.82 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.739 2.293 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.65 -31.03 36.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.3 mp -76.71 -20.6 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 558' ' ' VAL . 60.4 mt -90.86 -38.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 30.3 p -50.22 -28.85 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 558' ' ' VAL . 67.6 m -95.67 136.57 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 23.4 t-20 -162.42 105.02 1.09 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.4 Cg_endo -69.74 176.33 32.99 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.326 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 555' ' ' CYS . 83.9 t -101.78 123.86 42.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.486 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.1 Cg_endo -69.76 168.92 20.18 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -38.48 7.81 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 531' ' ' VAL . 65.1 mt -60.78 -67.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 559' ' ' PRO . 96.3 t -39.63 -37.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.17 -34.94 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' LEU . 9.5 tt0 -69.55 -54.61 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -93.17 23.96 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -55.0 -28.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.85 -47.33 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.39 -49.15 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.7 mtp -52.87 -52.09 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -53.1 -47.04 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.26 -45.2 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 513' ' ' LEU . 60.5 mt -57.32 -55.75 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.707 HG21 ' O ' ' A' ' 545' ' ' PRO . 38.8 mm -49.21 -38.48 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -71.78 -31.44 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.77 -23.41 60.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.43 -25.58 23.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.481 ' NE ' ' O ' ' A' ' 544' ' ' LEU . 5.5 mtt-85 -92.23 -40.52 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.2 -39.6 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -72.57 140.76 81.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.8 6.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 582' ' ' LEU . 11.2 mt -105.12 102.14 11.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.529 HD23 HG21 ' A' ' 504' ' ' THR . 3.6 mm? -37.06 -47.2 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -146.23 132.0 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 86.4 p -174.7 123.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.53 98.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 8.6 p -47.14 140.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -118.59 168.03 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -82.3 165.89 19.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -122.04 -132.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.47 136.84 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.76 110.15 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 593' ' ' SER . 38.9 tttp -65.77 -51.69 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 592' ' ' LYS . 23.1 t -35.52 108.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' SER . . . . . 0.402 ' C ' ' HD3' ' A' ' 596' ' ' PRO . 48.8 p -119.6 157.24 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -110.18 68.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 597' ' ' SER . 53.9 Cg_endo -69.8 3.43 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 596' ' ' PRO . 6.6 m -31.14 134.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.1 p -48.32 176.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 39.0 t -106.37 83.96 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 61.3 p -120.91 101.84 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -153.58 37.94 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 68.5 m -89.42 165.99 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 29.6 t -149.96 141.53 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 128.81 126.05 2.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -83.12 150.17 60.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.517 0.675 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.81 26.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.77 108.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 514' ' ' PHE . 17.0 m-85 -85.0 -59.72 2.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 487' ' ' THR . 19.4 m 41.87 25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 486' ' ' PHE . 5.1 t70 61.26 46.02 8.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -173.15 165.93 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 35.8 t -120.58 156.96 30.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -154.54 171.81 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 494' ' ' LEU . 9.4 mp -72.47 -47.05 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 492' ' ' LEU . 2.7 tp10 -36.15 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 492' ' ' LEU . 27.3 tp -91.82 -48.86 6.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.725 ' CE1' HD21 ' A' ' 507' ' ' LEU . 2.1 t80 -55.84 -52.56 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 13.1 mtt-85 -94.16 48.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -63.09 -62.84 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 499' ' ' LYS . 3.9 tp-100 -81.96 40.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 498' ' ' GLN . 35.1 mttp 34.41 39.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -124.13 146.5 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -100.25 99.93 10.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 66.6 mt -59.99 156.74 14.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -82.6 176.09 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 19.1 m -54.08 -65.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -54.01 -45.77 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -54.46 -46.42 73.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.725 HD21 ' CE1' ' A' ' 495' ' ' TYR . 48.9 mt -57.86 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.42 HG21 ' HA ' ' A' ' 576' ' ' ALA . 54.9 m -50.73 -56.0 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.07 -51.18 64.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 74.6 t80 -50.05 -53.99 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -52.29 -53.29 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.417 ' HB3' HD22 ' A' ' 572' ' ' LEU . 37.0 mt -52.42 -53.86 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 514' ' ' PHE . 38.4 mt -54.28 -65.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.637 ' CZ ' ' CE1' ' A' ' 486' ' ' PHE . 26.6 t80 -34.35 -54.09 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.38 -62.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -43.96 -42.62 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.616 HH12 ' HB2' ' A' ' 521' ' ' ALA . 2.8 ttt-85 -57.01 -64.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 486' ' ' PHE . 26.3 t0 -40.88 -50.05 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -50.83 -52.06 45.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 23.3 m -60.73 -36.18 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.616 ' HB2' HH12 ' A' ' 517' ' ' ARG . . . -68.53 -21.29 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.55 -31.04 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ARG . . . . . 0.469 ' CG ' ' OE2' ' A' ' 524' ' ' GLU . 6.4 ptm180 -91.26 -38.09 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.469 ' OE2' ' CG ' ' A' ' 523' ' ' ARG . 0.2 OUTLIER -70.85 -35.57 72.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 12.1 t70 72.0 51.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 530' ' ' TYR . 22.6 mt-10 -129.63 174.14 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.1 p -64.88 168.32 6.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.455 ' O ' ' NH2' ' A' ' 517' ' ' ARG . 11.1 m-85 -83.84 -22.28 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -97.24 33.57 5.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 561' ' ' LEU . 5.2 t80 -124.64 -67.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.707 HG13 HD13 ' A' ' 561' ' ' LEU . 45.4 t -47.23 -51.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.3 tp -156.51 105.01 2.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.9 Cg_endo -69.73 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.83 -49.67 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.54 ' CG ' ' N ' ' A' ' 536' ' ' MET . 10.7 p80 -54.52 -48.43 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.54 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 34.9 ttm -63.75 -55.45 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 22.8 ttm -48.53 -58.91 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.0 mt -53.17 -56.86 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -39.36 -60.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.83 -57.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.88 -35.92 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.446 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 55.5 mt-10 -81.94 -39.83 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -55.32 -49.06 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 38.8 mt 62.67 49.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.81 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -50.09 -27.7 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 551' ' ' ILE . 12.3 mt-10 -103.4 160.0 27.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.3 Cg_endo -69.76 -27.68 26.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -55.82 -30.68 57.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.9 mp -73.54 -23.89 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.423 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -85.06 -33.17 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.9 m -67.27 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.8 p -60.32 115.08 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 4.7 t-20 -142.39 108.63 5.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 177.55 28.38 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.369 -0.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.443 HG13 ' SG ' ' A' ' 555' ' ' CYS . 46.2 t -93.34 124.84 56.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.46 56.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.68 8.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 531' ' ' VAL . 64.5 mt -100.34 -69.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.561 HG13 ' SD ' ' A' ' 569' ' ' MET . 78.4 t -39.67 -36.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.02 -37.07 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 561' ' ' LEU . 24.9 tt0 -71.81 -52.24 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -90.85 21.68 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.472 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.5 tp -53.39 -31.18 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.1 -48.88 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.86 -50.81 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.561 ' SD ' HG13 ' A' ' 562' ' ' VAL . 60.2 mtp -52.9 -47.99 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -55.07 -48.9 72.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 82.8 mt -52.53 -45.39 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 512' ' ' LEU . 47.5 mt -57.25 -49.54 75.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.47 -43.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.61 -39.17 92.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.55 -43.15 99.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -65.41 -35.61 81.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 13.8 mtp-105 -78.94 -31.84 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.85 -49.21 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -74.0 143.17 80.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.514 0.673 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.53 4.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.05 121.77 42.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 16.4 mt -105.76 102.34 11.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 584' ' ' SER . 0.4 OUTLIER -171.02 174.63 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 584' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 583' ' ' LYS . 48.1 t -35.67 -46.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.55 49.95 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.66 144.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -44.52 -55.7 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . 38.29 41.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 590' ' ' VAL . . . -45.58 97.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.439 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 589' ' ' GLY . 0.7 OUTLIER -31.58 -51.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 0.0 111.163 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.85 171.31 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -101.32 -58.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.3 m 48.07 45.02 19.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 19.8 m -114.1 94.96 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -89.33 162.4 30.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 40.7 m -85.38 162.55 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 78.8 p -51.42 160.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 71.2 p -155.56 117.42 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.4 m -122.23 112.04 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 115.76 -159.97 13.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 3.2 t -132.54 -51.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 482' ' ' GLY . 78.8 p -141.09 173.63 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 481' ' ' SER . . . -37.31 -62.95 0.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -143.32 154.6 60.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.84 66.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.387 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 61.2 mt -125.55 112.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 518' ' ' ASP . 8.4 t80 46.17 48.24 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 487' ' ' THR . 2.9 t -71.93 73.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -125.38 132.56 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 490' ' ' SER . 55.0 tt0 -50.03 160.71 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 489' ' ' GLU . 92.3 p -50.04 153.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.471 ' CE1' ' NE2' ' A' ' 511' ' ' GLN . 5.7 p90 -44.53 -41.99 6.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 491' ' ' TYR . 12.3 tp -35.57 -47.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 492' ' ' LEU . 27.0 tt0 -38.22 -49.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.33 -51.77 27.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -40.0 -51.13 2.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 497' ' ' LYS . 73.0 mtp180 -46.66 -50.18 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 496' ' ' ARG . 59.9 mttt -35.67 -68.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.86 156.47 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 499' ' ' LYS . 0.0 OUTLIER -95.88 -54.55 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -43.75 119.84 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 128.67 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.01 154.45 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -86.4 169.87 12.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 84.9 m -44.9 -60.89 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 581' ' ' LEU . 76.4 mt-30 -57.22 -51.51 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -44.19 -45.89 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.5 mt -64.91 -53.48 45.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 25.3 m -45.28 -54.04 7.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.64 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -45.24 -41.31 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' GLN . . . . . 0.471 ' NE2' ' CE1' ' A' ' 491' ' ' TYR . 20.0 tt0 -65.81 -52.52 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 572' ' ' LEU . 46.8 mt -49.79 -48.95 50.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.97 -48.08 82.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -47.87 -64.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -47.58 -47.56 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -57.43 -50.14 73.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -48.28 -50.65 29.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 8.9 t70 -58.09 -47.83 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 520' ' ' THR . 2.9 tmmm? -49.17 -61.52 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.453 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.9 m -64.56 -37.67 88.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.19 -36.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.81 -54.77 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -49.68 -47.98 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.8 -34.33 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 70.0 42.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -128.79 166.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.6 t -62.17 132.58 53.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 529' ' ' GLY . 60.8 m-85 -43.08 -52.46 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.86 -51.84 2.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 561' ' ' LEU . 2.6 t80 -54.43 -55.61 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 88.2 t -47.72 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.433 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 11.9 tp -164.31 108.47 0.88 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.73 -173.06 0.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -74.23 -52.67 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 7.8 p80 -48.21 -50.76 28.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.66 -60.59 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 5.4 ttp -45.01 -37.79 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.41 -47.72 66.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -49.62 -46.22 49.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.46 ' CG1' ' SG ' ' A' ' 554' ' ' CYS . 11.0 mt -72.66 -53.09 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.33 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -83.94 -44.91 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.65 -53.57 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 26.9 mt 58.07 51.54 4.47 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.66 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.82 135.88 31.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 8.1 ptmm? -67.0 -42.31 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.409 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 2.9 mm-40 -91.4 160.61 36.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.78 -7.0 19.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.73 -50.5 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.43 -31.78 9.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -73.56 -29.92 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.418 ' CG2' HG21 ' A' ' 558' ' ' VAL . 54.9 mt -77.45 -33.86 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -69.81 -45.89 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.46 ' SG ' ' CG1' ' A' ' 540' ' ' ILE . 3.9 p -39.15 -30.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 558' ' ' VAL . 0.9 OUTLIER -103.86 155.22 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.1 t-20 -173.37 106.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.74 177.86 27.37 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.343 -0.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.639 HG22 ' SG ' ' A' ' 555' ' ' CYS . 92.5 t -100.61 124.01 43.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.25 38.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.3 9.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 530' ' ' TYR . 76.1 mt -93.36 -70.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.508 HG13 ' SD ' ' A' ' 569' ' ' MET . 94.3 t -40.59 -38.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -72.38 -46.1 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.49 -56.72 15.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -84.31 14.31 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.534 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.8 tp -47.5 -33.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.32 -52.36 58.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.18 -50.22 74.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.508 ' SD ' HG13 ' A' ' 562' ' ' VAL . 35.0 mtp -52.09 -55.09 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.6 t-160 -48.53 -49.38 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 92.7 mt -52.7 -47.0 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 512' ' ' LEU . 51.8 mt -55.58 -44.07 76.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 545' ' ' PRO . 30.3 mm -58.54 -47.23 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -60.85 -34.02 73.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.68 -47.28 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.5 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 578' ' ' GLU . 71.5 mtp180 -76.36 -41.11 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 577' ' ' ARG . 7.3 mt-10 -34.22 -53.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -70.66 142.53 88.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.539 0.685 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.9 2.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 583' ' ' LYS . 13.8 mt -110.71 107.35 16.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' A' ' 582' ' ' LEU . 3.2 mm? -46.24 90.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 581' ' ' LEU . 36.1 pttt 35.25 51.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 3.2 t -88.14 -47.7 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -89.57 103.36 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.42 142.23 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -172.57 142.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -72.42 117.66 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 125.73 -55.4 0.73 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 591' ' ' LYS . 2.0 p -65.11 135.38 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.405 . . . . 0.0 111.069 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 590' ' ' VAL . 21.6 ttpt -62.8 163.45 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 592' ' ' LYS . 0.0 OUTLIER -147.07 144.55 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.2 t -140.1 125.97 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 6.2 m -163.56 176.24 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 150.99 -86.34 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 597' ' ' SER . 53.8 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 596' ' ' PRO . 3.3 t -34.56 -57.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 85.7 p -66.27 94.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 47.1 m -120.18 42.25 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 7.3 t -98.54 144.83 27.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 136.75 67.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 53.5 p -118.03 40.46 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 44.6 t -82.18 47.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -165.35 133.7 3.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -58.38 155.47 27.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.4 40.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.16 151.59 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 30.1 m-85 60.9 49.93 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 87.3 m -108.25 -59.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -106.17 -58.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -174.94 154.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.3 m -40.55 110.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -81.78 160.6 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 493' ' ' GLU . 3.8 mm? -81.97 -43.93 17.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 492' ' ' LEU . 26.5 tt0 -38.02 -41.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 21.5 tp -67.6 -48.02 68.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -64.53 -61.62 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.01 30.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -50.86 -48.93 60.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -140.39 167.04 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -50.86 -176.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 58.92 48.38 11.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -47.14 169.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.455 HD11 ' CD2' ' A' ' 538' ' ' LEU . 38.3 mt -87.51 143.58 27.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ASN . . . . . 0.433 HD22 HD21 ' A' ' 581' ' ' LEU . 2.9 p-10 -86.81 -175.0 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.478 ' HB ' HD23 ' A' ' 581' ' ' LEU . 5.8 m -49.26 -63.9 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.02 -67.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -41.22 -46.75 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.03 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.7 m -49.23 -46.71 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.663 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -69.23 -39.19 78.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 510' ' ' PHE . 3.6 t80 -55.63 -42.69 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -71.36 -43.66 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.3 -47.99 83.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.18 -55.57 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 33.7 t80 -44.73 -61.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -55.37 -51.08 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 7.2 t90 -50.48 -42.54 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.796 ' HE ' HD23 ' A' ' 532' ' ' LEU . 16.7 ttm180 -61.07 -62.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 0.2 OUTLIER -40.15 -44.9 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.14 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 29.3 m -58.15 -29.1 65.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.78 -54.53 46.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -59.21 -47.72 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -57.8 -45.08 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -81.81 4.34 22.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.98 39.66 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.68 167.45 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.8 t -71.87 137.95 47.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -43.14 -55.82 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -60.8 -53.47 45.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 530' ' ' TYR . 6.0 t80 -40.09 -48.83 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 561' ' ' LEU . 98.2 t -54.23 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.796 HD23 ' HE ' ' A' ' 517' ' ' ARG . 12.4 tp -146.26 118.85 5.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 164.23 35.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 535' ' ' HIS . 73.3 m-20 -68.39 -66.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 9.0 p80 -35.36 -48.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.463 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.9 ttm -59.64 -60.52 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 50.5 ttp -42.98 -50.8 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 502' ' ' LEU . 34.6 mt -51.95 -59.27 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -43.95 -41.94 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 554' ' ' CYS . 22.9 mt -70.66 -57.62 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.61 -27.56 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.425 ' HG2' HD22 ' A' ' 502' ' ' LEU . 17.0 mt-10 -89.0 -24.72 22.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -80.02 -42.45 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.545 ' HA ' HG23 ' A' ' 573' ' ' ILE . 60.8 mt 50.94 53.61 14.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.476 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.75 113.74 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -47.67 -52.38 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -81.13 155.62 72.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.663 0.744 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.54 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.2 Cg_endo -69.72 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.09 -39.91 75.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.26 -25.97 63.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.552 ' HB ' HD11 ' A' ' 566' ' ' ILE . 4.7 mp -80.68 -20.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.57 -31.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.91 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 540' ' ' ILE . 7.0 p -48.9 -34.05 11.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.7 p -97.17 142.34 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.4 p30 -164.42 107.51 0.87 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.79 176.98 30.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.331 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.515 HG13 ' SG ' ' A' ' 555' ' ' CYS . 37.2 t -97.1 126.87 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.68 48.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.47 12.08 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 531' ' ' VAL . 78.4 mt -94.87 -74.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 561' ' ' LEU . 71.7 t -36.77 -38.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -75.16 -42.13 56.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.5 tt0 -65.02 -50.96 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -97.97 22.5 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.552 HD11 ' HB ' ' A' ' 551' ' ' ILE . 5.3 tp -51.55 -40.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.423 ' N ' HG23 ' A' ' 566' ' ' ILE . 60.5 m-20 -54.38 -53.42 54.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.9 tp10 -56.77 -54.08 50.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 54.4 mtp -50.83 -51.24 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.45 -52.54 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.5 mt -49.09 -52.97 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 36.6 mt -50.06 -50.5 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.545 HG23 ' HA ' ' A' ' 544' ' ' LEU . 17.6 mm -51.72 -46.16 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.605 ' N ' HE21 ' A' ' 574' ' ' GLN . 2.8 mm-40 -66.1 -35.9 81.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.34 -22.21 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.663 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -92.16 -39.83 11.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -35.92 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -45.25 -50.61 11.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.71 141.07 84.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.697 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.07 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.478 HD23 ' HB ' ' A' ' 504' ' ' THR . 20.0 mt -98.53 119.4 37.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.01 93.96 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -168.9 147.48 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 9.1 t -97.46 130.18 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.64 138.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -74.62 116.49 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -85.59 128.0 34.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -91.23 -119.76 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.436 HG22 ' N ' ' A' ' 591' ' ' LYS . 13.3 p -125.59 156.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.363 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 590' ' ' VAL . 17.9 ptmt -131.14 169.26 16.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 593' ' ' SER . 0.7 OUTLIER -49.66 148.04 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 593' ' ' SER . . . . . 0.422 ' N ' ' HD3' ' A' ' 592' ' ' LYS . 42.3 t -143.28 154.71 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 2.6 t -172.84 170.36 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 596' ' ' PRO . . . 153.61 -62.78 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 595' ' ' GLY . 53.1 Cg_endo -69.82 -36.55 10.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.302 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.1 m -39.61 121.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 73.2 m -67.61 117.7 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 20.9 m -139.32 130.0 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 2.5 m -127.23 124.55 39.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 150.22 147.91 4.65 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 22.9 t -48.11 146.65 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 86.7 p -137.78 130.97 30.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -86.56 41.84 3.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -67.89 144.21 97.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 165.51 30.73 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 22.8 mt -119.26 146.76 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.791 ' CE1' ' CZ ' ' A' ' 514' ' ' PHE . 28.6 m-85 -114.16 -174.78 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 486' ' ' PHE . 10.5 t 47.64 25.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -163.05 153.8 16.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -42.07 136.67 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 79.6 p -73.6 163.97 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.66 135.91 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 495' ' ' TYR . 22.6 mt -46.07 -46.6 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -39.82 -36.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 495' ' ' TYR . 0.0 OUTLIER -78.4 -34.14 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.507 ' N ' ' O ' ' A' ' 492' ' ' LEU . 13.7 t80 -77.95 -62.63 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' LYS . 0.4 OUTLIER -82.05 10.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' ARG . 35.7 tptt -33.3 -41.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -98.35 167.1 11.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 9.3 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -129.81 138.71 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -83.38 171.13 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 27.1 mt -110.42 151.01 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -89.07 -178.6 5.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.415 HG21 ' H ' ' A' ' 582' ' ' LEU . 9.3 m -50.57 -61.14 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.407 ' HG3' ' CD1' ' A' ' 581' ' ' LEU . 43.5 mt-30 -53.65 -53.12 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -50.21 -53.1 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.447 HD21 ' CE1' ' A' ' 495' ' ' TYR . 32.6 mt -55.12 -52.97 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.457 HG21 ' SD ' ' A' ' 579' ' ' MET . 95.1 m -51.35 -47.92 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.37 -57.77 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 48.3 t80 -43.13 -43.96 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.17 -57.34 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 55.1 mt -41.4 -48.41 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.58 -58.4 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.791 ' CZ ' ' CE1' ' A' ' 486' ' ' PHE . 36.9 t80 -37.44 -61.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -52.15 -55.23 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -49.38 -47.32 47.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 14.5 ttt-85 -52.69 -51.38 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -64.07 -44.63 91.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.5 OUTLIER -52.65 -51.84 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 92.5 m -75.53 -33.5 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.42 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -54.63 -51.92 63.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.79 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -72.35 -28.18 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 66.06 48.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -132.51 173.89 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -63.3 128.74 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.43 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 55.0 m-85 -43.41 -51.11 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -54.87 -48.66 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -43.95 -47.31 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 63.8 t -53.14 -65.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.19 119.89 2.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.577 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.3 Cg_endo -69.82 176.66 6.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -72.57 -55.46 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.577 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 13.3 p80 -46.27 -50.3 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 555' ' ' CYS . 42.0 tpp -61.13 -57.94 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttm -45.5 -50.99 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -58.46 -56.4 22.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 554' ' ' CYS . 1.7 tmtp? -44.72 -39.44 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.03 -57.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -43.48 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.45 -38.27 68.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -62.05 -51.91 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 58.8 mt 60.32 52.58 3.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.77 114.52 3.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -56.18 -33.86 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -95.71 159.32 32.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.677 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -22.08 32.7 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.405 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -61.59 -42.4 98.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -56.56 -25.74 50.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -81.42 -19.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 558' ' ' VAL . 63.8 mt -90.88 -37.77 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 539' ' ' LYS . 30.3 p -46.55 -34.97 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 16.4 m -87.57 109.38 19.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 557' ' ' PRO . 37.8 t30 -135.58 102.7 10.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 555' ' ' CYS . 53.6 Cg_endo -69.74 -168.48 4.42 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.316 -0.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 552' ' ' ILE . 89.5 t -107.77 125.78 31.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.41 42.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.57 36.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.56 -70.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.564 HG13 ' SD ' ' A' ' 569' ' ' MET . 97.8 t -37.52 -44.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 566' ' ' ILE . 6.4 tpt180 -69.38 -43.65 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -62.45 -56.09 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.02 22.23 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.523 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.7 tp -52.7 -34.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.95 -50.31 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.58 -51.49 69.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.564 ' SD ' HG13 ' A' ' 562' ' ' VAL . 43.2 mtp -51.2 -51.97 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -52.03 -51.08 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 76.5 mt -50.15 -47.12 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.12 -52.73 62.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 45.9 mm -53.37 -37.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.62 -34.98 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -66.83 -28.77 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -89.77 -36.54 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -75.18 -34.12 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.02 -38.13 87.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.457 ' SD ' HG21 ' A' ' 508' ' ' THR . 17.9 ptm -78.44 144.42 65.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.87 3.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 505' ' ' GLN . 6.3 mp -112.41 101.81 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.415 ' H ' HG21 ' A' ' 504' ' ' THR . 5.6 mp -87.53 -61.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -76.33 86.22 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 82.1 p -151.92 124.07 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.65 132.37 54.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.82 -15.37 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -50.5 106.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -102.67 174.92 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -135.76 168.25 23.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 97.5 t -143.02 138.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -113.09 138.81 49.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -142.59 138.05 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.3 t -120.95 161.5 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 73.1 m -140.43 175.9 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -127.72 143.93 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -173.6 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.365 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 1.3 t -90.62 158.21 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 73.8 m -108.16 166.64 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.434 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 35.5 t -41.75 139.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 46.8 p -67.58 151.86 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -63.93 155.07 45.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 69.2 m -46.41 -49.96 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 73.7 m -133.61 113.7 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -123.6 -57.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -48.6 146.88 4.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 485' ' ' ILE . 53.8 Cg_endo -69.76 80.01 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.297 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 485' ' ' ILE . 37.7 mt 34.08 35.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 518' ' ' ASP . 39.6 t80 34.26 44.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 487' ' ' THR . 8.9 t -127.4 126.98 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -166.16 131.89 2.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -88.03 37.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.6 m -124.77 47.57 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.432 ' CE1' ' HG ' ' A' ' 492' ' ' LEU . 42.2 p90 -88.33 -42.58 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 491' ' ' TYR . 31.9 mt -42.42 -30.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -63.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' A' ' 510' ' ' PHE . 0.9 OUTLIER -57.76 -28.09 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.1 -38.65 79.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -95.88 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -109.18 -38.64 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -101.71 142.04 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.98 79.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -152.98 154.41 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -125.48 110.74 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 51.7 mt -93.08 146.98 23.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -98.15 178.96 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.508 HG22 ' CE ' ' A' ' 579' ' ' MET . 88.3 m -40.88 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -50.91 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -39.03 -60.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 39.1 mt -51.72 -40.99 61.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 39.4 m -57.7 -51.94 67.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -61.59 -41.12 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 494' ' ' LEU . 39.9 t80 -54.64 -56.11 22.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.31 -48.74 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 572' ' ' LEU . 64.1 mt -51.97 -45.63 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.461 HD13 ' HG3' ' A' ' 537' ' ' MET . 47.3 mt -57.96 -51.41 69.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.416 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 41.3 t80 -48.48 -59.59 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.53 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -63.62 -39.49 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 521' ' ' ALA . 28.9 ttp85 -55.69 -41.29 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 7.9 t0 -71.01 -51.72 23.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.1 tmmm? -42.31 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.458 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.2 m -69.76 -40.52 76.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -42.96 -41.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.066 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 522' ' ' ARG . 12.4 mtp-105 -74.18 -45.94 45.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -55.21 -39.72 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -90.18 -6.12 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 40.4 53.97 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -131.0 175.86 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.7 m -64.8 128.85 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -46.03 -46.96 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.95 -59.46 9.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -40.13 -48.45 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.965 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 92.6 t -52.66 -64.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.7 tp -155.56 116.17 2.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.5 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -74.51 -48.76 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 16.3 p80 -52.75 -49.93 64.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 28.9 tpp -66.21 -53.39 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' MET . . . . . 0.479 ' HA ' HD21 ' A' ' 532' ' ' LEU . 17.9 ttp -47.61 -57.32 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 539' ' ' LYS . 21.4 mt -56.53 -58.57 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 538' ' ' LEU . 31.3 tttp -36.75 -46.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.49 -54.37 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -52.07 -27.44 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 77.2 mt-10 -87.87 -40.23 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.14 -32.02 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.5 mt 48.02 52.92 13.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.8 Cg_endo -69.71 91.99 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -44.81 -28.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 18.9 mt-10 -97.9 156.82 35.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.642 ' HA ' HD13 ' A' ' 551' ' ' ILE . 52.8 Cg_endo -69.8 -23.03 31.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -63.87 -45.69 88.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.48 -31.99 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.4 mp -76.46 -20.47 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.601 HD11 HG12 ' A' ' 566' ' ' ILE . 42.2 mt -91.11 -37.07 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.06 -34.74 71.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 20.2 p -51.74 -35.36 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.03 149.76 21.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -168.72 109.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.75 174.69 39.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.33 127.21 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.78 48.44 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.0 mt -90.63 -68.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 561' ' ' LEU . 72.9 t -36.61 -47.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -43.83 82.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 561' ' ' LEU . 1.3 tm0? -62.11 -56.54 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.26 16.81 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 552' ' ' ILE . 4.3 tp -48.49 -34.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.98 -49.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.63 -50.88 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 37.1 mtp -51.27 -55.39 18.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -49.38 -47.77 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 71.8 mt -53.16 -46.48 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 512' ' ' LEU . 48.7 mt -55.96 -57.72 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 37.1 mm -47.36 -39.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -68.27 -33.31 74.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.78 -26.11 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -87.33 -21.72 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -92.77 -40.87 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.57 -34.99 8.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.508 ' CE ' HG22 ' A' ' 504' ' ' THR . 17.7 ptm -84.81 146.26 45.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -169.4 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 12.4 mt -109.48 113.68 26.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.47 85.98 2.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -173.58 142.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 22.2 t -98.28 101.5 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -160.0 135.66 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.4 p -168.67 134.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -167.51 110.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -131.02 88.98 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -100.05 101.03 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.83 123.05 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.77 111.75 10.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -149.34 151.94 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 95.1 p -144.89 135.96 24.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 68.7 p -146.36 113.87 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -176.71 87.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.33 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.1 m -130.49 169.14 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 87.9 p -121.37 42.3 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 36.7 m -67.81 96.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 29.8 t -138.07 130.76 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -141.75 -128.98 2.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 35.6 t -90.61 -44.95 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 92.6 p -79.94 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 105.49 -73.7 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -144.49 156.26 56.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 485' ' ' ILE . 5.2 mp -74.93 134.58 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 514' ' ' PHE . 31.9 m-85 -39.29 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.755 ' O ' HG22 ' A' ' 487' ' ' THR . 78.1 m 44.51 35.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 487' ' ' THR . 1.3 p30 36.5 42.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.43 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.9 m -170.17 127.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -86.61 -39.86 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 493' ' ' GLU . 11.8 tp -49.32 -39.87 33.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 492' ' ' LEU . 10.2 mm-40 -36.55 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.522 HD12 ' H ' ' A' ' 494' ' ' LEU . 5.3 mp -38.76 -54.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.47 -49.11 70.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -57.98 -33.52 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 494' ' ' LEU . 28.8 mmtt -38.13 -47.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.16 147.45 23.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' LYS . . . . . 0.473 ' CE ' ' H ' ' A' ' 499' ' ' LYS . 0.0 OUTLIER -86.23 14.04 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -106.25 112.55 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -65.49 149.52 49.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.97 154.92 28.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -84.97 164.07 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 86.6 m -40.87 -63.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.474 ' CD ' HD21 ' A' ' 581' ' ' LEU . 83.3 mt-30 -54.98 -45.41 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.84 -49.24 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.03 -48.11 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.44 HG21 ' SD ' ' A' ' 579' ' ' MET . 90.1 m -48.94 -52.99 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.44 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.76 -43.58 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -61.98 -54.75 37.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.33 -52.93 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.65 -52.56 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 486' ' ' PHE . 13.5 t80 -41.99 -53.19 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.95 91.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -51.96 -55.01 22.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.489 ' HG3' ' CG1' ' A' ' 531' ' ' VAL . 27.9 ttp180 -56.32 -45.35 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 0.5 OUTLIER -56.4 -44.32 80.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 519' ' ' LYS . 1.7 ttpm? -65.55 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 57.4 m -50.95 -42.21 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -45.29 -41.31 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.93 -48.36 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -54.61 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.93 -33.67 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 3.7 t70 73.45 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' GLU . . . . . 0.583 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -117.22 162.29 18.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.4 m -58.86 137.1 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -48.95 -52.46 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.46 -45.12 37.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 75.2 t80 -55.5 -56.45 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.919 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 517' ' ' ARG . 61.4 t -47.69 -61.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.7 tp -162.78 118.9 1.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.74 171.93 13.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -71.24 -50.27 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.587 ' CG ' ' N ' ' A' ' 536' ' ' MET . 1.2 p80 -51.5 -50.68 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.656 ' HE3' ' HA ' ' A' ' 555' ' ' CYS . 30.4 tpp -60.66 -50.06 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 27.7 ttp -50.79 -43.8 58.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.27 -61.58 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -40.15 -46.12 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.43 -54.99 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.47 -40.67 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.62 -53.1 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 50.7 mt 61.62 53.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.622 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.83 124.68 11.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.98 64.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -103.96 157.11 34.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.753 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.79 -1.79 9.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -78.44 -51.86 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.68 -35.58 16.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -69.53 -25.09 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -89.39 -31.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.72 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 28.4 p -42.6 -37.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.656 ' HA ' ' HE3' ' A' ' 536' ' ' MET . 89.1 m -90.29 131.1 36.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.1 p-10 -162.56 105.0 1.07 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.76 170.4 58.66 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.308 -0.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 555' ' ' CYS . 73.6 t -97.09 128.02 36.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.675 0.75 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.501 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.76 164.93 32.7 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.6 mt -96.84 -70.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.501 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.2 t -36.56 -39.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 566' ' ' ILE . 7.9 tpt180 -78.0 -46.24 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.52 -57.53 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.92 21.09 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.0 tp -51.0 -46.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.521 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.3 m120 -48.14 -50.52 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.22 -54.64 44.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.8 mtp -49.29 -52.02 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.12 -53.75 25.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 87.7 mt -49.3 -44.37 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 64.9 mt -56.46 -50.66 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.622 HG21 ' O ' ' A' ' 545' ' ' PRO . 23.6 mm -53.88 -39.44 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.72 -33.66 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.04 -35.7 81.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -81.87 -36.63 28.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -74.99 -30.69 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -42.15 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 508' ' ' THR . 19.3 ptm -71.95 144.71 88.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.67 41.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' A' ' 581' ' ' LEU . 1.2 mm? -83.3 98.59 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -43.66 -53.67 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -71.94 144.09 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 1.8 m -41.14 132.79 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -164.64 158.81 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 9.2 p -172.58 148.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -157.14 124.56 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -127.83 82.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -151.88 71.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 35.0 m -133.6 142.35 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -174.39 145.66 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -163.6 125.05 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.0 m -123.8 128.84 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 6.8 t -169.2 123.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 148.32 97.03 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.31 57.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.7 m -123.66 118.29 26.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 6.0 t -174.99 159.94 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 61.7 m -112.42 91.02 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 4.3 m -38.67 146.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 480' ' ' SER . . . 126.04 -49.41 0.92 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 481' ' ' SER . 37.5 m -36.99 -43.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 480' ' ' SER . 57.9 m -35.87 -46.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -141.26 142.39 12.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 484' ' ' PRO . 2.5 ttmp? -153.26 139.52 12.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 483' ' ' LYS . 53.5 Cg_endo -69.76 113.2 3.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.23 . . . . 0.0 112.347 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 70.4 mt -122.87 150.67 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.759 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 12.0 m-85 -80.05 45.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 487' ' ' THR . 15.3 t -91.1 39.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.96 154.75 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.94 -51.4 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.6 t -131.56 79.25 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -99.15 153.56 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.86 -49.82 9.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -38.86 -33.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.401 HD21 ' HZ ' ' A' ' 510' ' ' PHE . 35.1 tp -91.62 -44.87 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.519 ' CD2' ' HG3' ' A' ' 496' ' ' ARG . 44.7 t80 -58.47 -58.74 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.519 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 32.9 mtp180 -88.03 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -93.17 -56.24 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.28 149.58 38.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.26 -51.98 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -64.36 170.32 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -130.56 157.91 41.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 1.002 HD22 ' HB3' ' A' ' 506' ' ' GLN . 38.0 mt -100.37 163.06 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ASN . . . . . 0.45 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.5 m-80 -125.89 -71.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.404 ' CG2' ' HE1' ' A' ' 579' ' ' MET . 91.1 m -135.01 -73.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.46 -60.4 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' GLN . . . . . 1.002 ' HB3' HD22 ' A' ' 502' ' ' LEU . 49.3 mt-30 -41.52 -42.31 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 503' ' ' ASN . 21.4 mt -65.22 -53.37 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.42 ' HB ' ' HB1' ' A' ' 576' ' ' ALA . 13.4 m -46.92 -45.87 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.79 -48.04 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.401 ' HZ ' HD21 ' A' ' 494' ' ' LEU . 58.9 t80 -50.6 -44.56 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -65.45 -52.57 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 81.8 mt -48.05 -48.76 33.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.54 -46.05 91.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.759 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 47.3 t80 -49.06 -48.05 44.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -53.27 -42.18 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -58.08 -59.08 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 4.2 t0 -54.06 -48.83 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -57.45 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 m -51.15 -39.06 55.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.11 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.63 -58.8 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -52.26 -39.5 60.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -76.89 -25.74 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 61.26 45.53 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.14 173.16 11.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.5 t -59.85 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -49.97 -49.38 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.46 -53.24 42.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -41.14 -57.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.697 ' HA ' HD12 ' A' ' 561' ' ' LEU . 80.1 t -41.24 -60.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.8 tp -163.7 119.14 1.12 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.487 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 176.24 7.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -73.84 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.487 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 12.6 p80 -38.33 -49.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.42 -59.5 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 10.1 ttp -38.56 -57.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.6 mt -57.89 -50.34 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 554' ' ' CYS . 35.9 tttm -43.94 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.85 -58.57 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.85 -39.32 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -71.97 -45.6 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.46 -46.65 73.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 40.6 mt 62.8 55.01 2.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.8 123.41 10.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.3 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 19.1 ptmt -69.51 -41.7 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.3 161.85 29.74 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -78.31 -43.96 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -53.75 -32.79 48.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -71.2 -33.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.685 ' CG2' HG21 ' A' ' 558' ' ' VAL . 49.8 mt -77.26 -38.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.34 51.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 539' ' ' LYS . 2.3 m -60.42 -65.61 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.509 ' HB2' HG22 ' A' ' 558' ' ' VAL . 41.2 m -62.08 126.55 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.2 p30 -155.09 105.11 2.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.78 171.33 54.28 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.344 -0.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.685 HG21 ' CG2' ' A' ' 552' ' ' ILE . 88.2 t -95.32 135.15 23.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.532 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.4 Cg_endo -69.69 162.85 40.45 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.3 20.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 531' ' ' VAL . 73.4 mt -95.9 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 569' ' ' MET . 87.2 t -39.67 -35.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -77.45 -44.65 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.37 28.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.7 tp -55.21 -40.44 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -55.61 -46.11 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.09 -49.64 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.5 mtp -53.73 -49.75 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 2.9 t-160 -54.88 -43.52 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.81 -47.37 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.5 mt -54.25 -55.42 28.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.24 -47.5 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -57.53 -38.78 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.42 ' HB1' ' HB ' ' A' ' 508' ' ' THR . . . -63.2 -42.12 99.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 578' ' ' GLU . 54.4 mtp180 -69.59 -41.56 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 577' ' ' ARG . 36.8 mm-40 -36.73 -48.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.404 ' HE1' ' CG2' ' A' ' 504' ' ' THR . 8.2 ptm -75.18 147.64 83.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.85 3.18 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.44 103.9 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.67 -42.76 93.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -75.27 145.75 41.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 68.8 p -104.13 84.04 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.93 103.95 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.7 p -92.23 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -163.68 142.34 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -117.31 135.52 53.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 144.63 48.04 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 32.9 m -137.87 143.02 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt 56.61 41.8 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -42.22 146.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 9.4 t -55.24 167.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 12.3 t -132.93 134.67 44.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -91.45 -76.37 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.2 59.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 97.1 p -154.31 176.54 12.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 95.9 p -167.78 170.99 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 27.1 t -45.87 99.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 26.1 t -91.68 82.95 5.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 51.59 -174.76 0.13 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 11.4 m -106.67 94.05 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 2.8 m -135.3 139.95 44.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -61.05 -73.34 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -170.43 153.7 4.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.14 62.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 53.1 mt -94.83 89.34 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.635 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 0.9 OUTLIER -122.91 59.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 488' ' ' ASP . 25.9 m -90.88 139.64 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 488' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 487' ' ' THR . 2.4 t70 -34.85 -40.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.64 93.78 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 82.1 p -88.22 164.51 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 493' ' ' GLU . 2.3 t80 -50.43 122.33 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 493' ' ' GLU . 0.0 OUTLIER -37.62 -27.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.994 ' N ' HD13 ' A' ' 492' ' ' LEU . 26.0 tt0 -41.95 -40.31 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 495' ' ' TYR . 19.2 tp -71.6 -54.47 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.673 ' CE1' HD21 ' A' ' 507' ' ' LEU . 0.9 OUTLIER -34.48 -64.26 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -110.79 82.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -118.09 99.86 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.47 38.13 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -155.72 132.17 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 501' ' ' HIS . 11.5 tppt? -40.55 153.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.406 ' N ' ' HG3' ' A' ' 500' ' ' LYS . 2.4 p-80 -64.15 129.36 39.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.49 158.88 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -91.67 -178.47 5.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.427 ' HB ' HD23 ' A' ' 581' ' ' LEU . 72.2 m -51.1 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.13 -62.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -38.4 -58.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.673 HD21 ' CE1' ' A' ' 495' ' ' TYR . 31.7 mt -51.46 -54.15 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 22.9 m -46.05 -47.63 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.14 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.52 -45.13 81.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -62.38 -48.38 80.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.9 -54.97 35.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 68.6 mt -51.42 -49.66 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 22.4 t80 -50.95 -59.5 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.73 -52.46 23.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -56.11 -43.62 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -52.38 -47.82 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.423 ' HB2' ' CE1' ' A' ' 486' ' ' PHE . 8.7 t0 -62.06 -44.79 95.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -63.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.774 HG23 ' OE2' ' A' ' 524' ' ' GLU . 98.8 m -53.04 -34.29 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.54 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -71.56 -40.17 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.93 -40.13 32.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.774 ' OE2' HG23 ' A' ' 520' ' ' THR . 0.1 OUTLIER -71.19 -33.39 69.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.73 38.49 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -119.38 176.39 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.1 m -61.93 134.01 56.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -52.15 -59.76 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -50.52 -46.89 45.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -45.71 -43.21 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 561' ' ' LEU . 96.3 t -57.59 -66.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 22.4 tp -152.52 117.07 2.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.496 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.75 175.06 8.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -72.71 -58.15 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.496 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 9.4 p80 -43.94 -45.25 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.49 -53.19 20.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.1 ttm -47.89 -45.24 30.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.37 -55.09 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -40.71 -51.41 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.584 HD11 ' SG ' ' A' ' 554' ' ' CYS . 41.6 mt -67.17 -54.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -46.96 -38.77 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -79.19 -40.39 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -58.97 -50.33 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.1 mt 59.1 52.11 3.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.674 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.9 Cg_endo -69.71 128.01 15.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -67.29 -46.45 73.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -84.56 160.52 56.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.531 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -13.27 34.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -69.55 -45.74 68.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -53.98 -20.35 13.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.0 mp -88.31 -24.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.623 HG23 HG21 ' A' ' 558' ' ' VAL . 41.1 mt -85.77 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.12 91.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -44.4 -38.14 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.2 p -102.76 140.39 37.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 0.3 OUTLIER -163.39 109.42 0.99 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 110.886 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.79 172.49 48.87 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 552' ' ' ILE . 54.7 t -95.94 135.88 22.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 558' ' ' VAL . 54.3 Cg_endo -69.73 162.76 40.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -4.24 13.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 531' ' ' VAL . 81.9 mt -99.47 -68.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.91 -36.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -77.45 -41.64 38.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.97 -54.06 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -93.6 22.34 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.437 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.9 tp -50.4 -40.61 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 566' ' ' ILE . 32.1 m120 -55.26 -51.38 66.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.04 -51.05 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.0 mtp -51.55 -50.17 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.85 -47.31 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.71 -46.85 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.4 -53.36 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.674 HG21 ' O ' ' A' ' 545' ' ' PRO . 43.8 mm -50.59 -41.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.07 -28.13 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.93 -27.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -85.78 -43.34 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -43.5 -38.89 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -81.39 142.23 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -173.55 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.427 HD23 ' HB ' ' A' ' 504' ' ' THR . 26.8 mt -100.85 109.79 21.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.427 ' H ' HG21 ' A' ' 504' ' ' THR . 31.9 mt -83.47 86.78 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -122.73 161.66 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 72.1 p -54.32 -18.09 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -140.9 110.29 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.23 151.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -129.57 155.58 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -142.17 132.6 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 591' ' ' LYS . 12.9 p -96.21 -51.01 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.617 ' N ' HG13 ' A' ' 590' ' ' VAL . 31.4 mtpt -150.03 131.84 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -107.5 102.94 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 36.6 t -69.4 109.69 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 4.4 t -156.1 135.49 12.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -168.11 84.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.15 13.21 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.0 m -100.04 176.3 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 92.2 p -166.17 146.85 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.454 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.5 t -105.35 42.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 50.9 m -98.16 83.44 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 82.43 72.46 1.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.532 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 55.7 p -98.07 40.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.8 t -127.76 108.99 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -101.27 -129.31 6.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' LYS . . . . . 0.494 ' CD ' ' HD2' ' A' ' 484' ' ' PRO . 2.3 tppp? -169.97 136.87 1.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.494 ' HD2' ' CD ' ' A' ' 483' ' ' LYS . 53.9 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.349 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 26.0 mt -97.55 87.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.421 ' CE2' ' OD1' ' A' ' 518' ' ' ASP . 0.9 OUTLIER -127.09 59.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 3.5 m -117.73 43.79 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.2 43.19 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -105.64 127.1 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 20.6 m -116.12 112.57 21.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -64.14 158.28 23.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 495' ' ' TYR . 9.9 mp -85.02 -55.57 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 492' ' ' LEU . 33.8 tp10 -35.72 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 510' ' ' PHE . 0.6 OUTLIER -88.91 -39.92 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 492' ' ' LEU . 1.4 t80 -64.47 -58.22 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -97.0 45.07 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -77.38 82.78 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 48.96 41.01 18.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -138.1 138.46 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -41.14 137.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -57.71 146.92 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 85.1 mt -87.14 155.25 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 503' ' ' ASN . . . . . 0.526 ' OD1' HD22 ' A' ' 581' ' ' LEU . 3.8 t-20 -87.23 178.88 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.669 HG21 ' H ' ' A' ' 582' ' ' LEU . 32.7 m -53.35 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.23 -49.83 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -49.37 -51.7 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.61 -50.38 70.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 16.9 m -49.45 -42.33 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.45 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.488 ' CZ ' HD11 ' A' ' 494' ' ' LEU . 48.3 t80 -50.69 -43.72 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -62.86 -49.15 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.9 mt -56.83 -52.19 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.25 -59.15 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 514' ' ' PHE . 6.3 t80 -39.46 -49.83 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 49.8 t90 -58.27 -60.23 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -44.73 -50.53 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.421 ' OD1' ' CE2' ' A' ' 486' ' ' PHE . 23.4 t0 -60.4 -38.21 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -61.92 -57.6 11.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 524' ' ' GLU . 24.4 m -59.46 -31.5 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -44.48 -48.22 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.0 -63.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -40.75 -44.67 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.407 ' HG2' HG22 ' A' ' 520' ' ' THR . 69.8 mm-40 -78.32 -34.38 48.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 17.7 t0 69.85 43.46 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -127.82 169.18 14.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.9 t -64.81 139.57 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -43.19 -45.11 5.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -51.42 -69.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 529' ' ' GLY . 15.7 t80 -34.41 -58.62 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 58.4 t -44.93 -61.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 533' ' ' PRO . 25.1 tp -160.68 119.2 1.52 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.81 167.24 25.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -69.86 -59.98 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 536' ' ' MET . 12.1 p-80 -41.75 -47.12 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 38.2 ttm -63.89 -54.21 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 22.9 ttp -48.4 -58.22 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 21.9 mt -50.54 -57.5 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -42.88 -46.35 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 74.0 mt -69.03 -53.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.58 -36.22 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 42.7 mt-10 -80.55 -44.02 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -56.05 -48.37 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.468 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.2 mt 62.98 52.65 1.66 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.549 0.69 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.13 -29.29 30.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.46 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 6.3 mt-10 -97.63 157.84 34.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.77 -20.84 34.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -64.33 -48.31 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.08 23.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -75.54 -21.41 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 558' ' ' VAL . 59.8 mt -90.09 -37.47 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.23 81.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 22.5 p -45.05 -36.63 3.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.5 p -102.13 133.28 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.4 t30 -157.5 110.74 1.84 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 172.44 48.82 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.352 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 552' ' ' ILE . 50.9 t -95.89 134.95 23.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.74 160.11 50.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.37 11.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 96.7 mt -96.32 -74.33 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.701 HG13 ' SD ' ' A' ' 569' ' ' MET . 80.4 t -37.78 -38.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.477 ' NH1' HG21 ' A' ' 552' ' ' ILE . 12.3 tpt180 -72.56 -42.42 64.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 561' ' ' LEU . 11.9 tt0 -65.75 -48.96 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -99.62 24.54 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.25 -34.81 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -60.62 -48.72 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.549 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.3 tp10 -60.63 -51.44 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.701 ' SD ' HG13 ' A' ' 562' ' ' VAL . 45.9 mtp -51.94 -53.18 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.1 t-160 -51.27 -48.56 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.72 -45.18 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.38 -47.97 80.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.466 HG21 ' O ' ' A' ' 545' ' ' PRO . 48.2 mm -55.3 -40.23 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.86 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -68.17 -42.06 80.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -71.13 -40.2 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -39.86 -50.82 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 13.5 ptm -70.99 147.42 93.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.53 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.526 HD22 ' OD1' ' A' ' 503' ' ' ASN . 11.1 mt -102.53 115.79 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.669 ' H ' HG21 ' A' ' 504' ' ' THR . 53.8 mt -80.34 173.76 12.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -47.91 157.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.9 p -166.66 169.48 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -104.94 87.66 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 11.3 p -168.58 131.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -114.3 101.9 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -92.61 161.04 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 179.33 54.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 34.4 m -152.11 130.18 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.99 122.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -96.83 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 59.8 m -100.51 -52.85 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 77.8 p -172.6 161.76 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -106.3 140.81 15.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 109.75 2.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 39.4 m -95.24 171.49 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 66.6 m -150.6 128.94 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 91.8 p -64.39 -50.01 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 63.6 m -83.76 107.63 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -108.95 -161.62 19.98 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 40.6 t -128.65 158.76 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.83 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.3 m -88.09 -48.22 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 98.86 -93.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.34 21.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 104.0 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 52.9 mt -79.14 108.82 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.529 ' CG ' ' OD2' ' A' ' 518' ' ' ASP . 1.9 t80 -116.91 81.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 12.4 t -112.79 155.38 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.59 -45.38 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.54 128.5 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 97.5 p -79.88 161.02 25.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -86.64 160.29 18.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 495' ' ' TYR . 3.8 mm? -73.07 -60.0 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.428 ' OE1' ' C ' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -39.46 -37.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.478 HD21 ' HZ ' ' A' ' 510' ' ' PHE . 22.1 tp -67.6 -39.56 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 492' ' ' LEU . 11.2 t80 -66.77 -44.26 81.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -102.73 51.02 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -90.24 45.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 69.6 43.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' LYS . . . . . 0.469 ' HE2' HD13 ' A' ' 538' ' ' LEU . 18.1 mmmt -136.38 131.72 34.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -45.77 139.15 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -49.63 135.53 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 60.5 mt -88.19 164.73 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -90.03 167.24 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 31.7 m -47.07 -58.17 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.09 -58.02 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 495' ' ' TYR . 80.7 mt -57.11 -46.95 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.488 HG21 ' HA ' ' A' ' 576' ' ' ALA . 90.7 m -52.84 -49.17 66.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.23 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.478 ' HZ ' HD21 ' A' ' 494' ' ' LEU . 50.9 t80 -54.19 -46.47 72.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.95 -50.84 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 42.3 mt -50.99 -51.24 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.77 -54.03 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.5 -60.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.37 64.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -54.9 -54.5 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.75 -50.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.529 ' OD2' ' CG ' ' A' ' 486' ' ' PHE . 31.6 t0 -57.99 -43.36 86.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -63.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 521' ' ' ALA . 57.7 m -56.21 -46.62 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -34.31 -53.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -58.72 -60.23 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 25.2 mmm-85 -46.36 -44.92 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.2 -28.14 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.78 41.76 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 3.6 tp10 -128.59 162.42 27.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 13.1 t -63.35 140.6 58.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -48.87 -58.24 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -39.29 -42.55 1.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.563 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 66.5 t80 -66.41 -49.36 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 93.0 t -58.46 -64.76 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.2 tp -158.95 105.01 1.57 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.732 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.2 Cg_endo -69.75 173.71 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 535' ' ' HIS . 0.1 OUTLIER -62.86 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.645 ' CG ' ' N ' ' A' ' 536' ' ' MET . 4.1 p80 -36.08 -54.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.645 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 33.8 ttm -57.33 -61.08 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.5 ttp -43.5 -50.91 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' LEU . . . . . 0.469 HD13 ' HE2' ' A' ' 499' ' ' LYS . 31.9 mt -58.9 -56.71 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -39.7 -57.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.21 -57.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.443 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.19 -40.37 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.88 -40.83 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.0 -47.31 81.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.5 mt 58.1 51.34 4.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.626 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 114.71 3.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 17.6 ptmt -55.86 -41.13 73.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -93.23 161.36 31.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.751 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.522 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.69 -22.59 32.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -66.76 -37.57 84.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.19 -31.36 73.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 4.4 mp -74.46 -33.73 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.579 ' CG2' HG21 ' A' ' 558' ' ' VAL . 47.2 mt -75.45 -36.2 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.48 -60.34 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.478 ' HB2' HG22 ' A' ' 558' ' ' VAL . 33.2 m -62.66 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 19.0 t-20 -154.53 104.97 2.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.75 171.6 52.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.367 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.579 HG21 ' CG2' ' A' ' 552' ' ' ILE . 83.6 t -96.07 125.65 47.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.46 38.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -7.86 22.11 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.708 2.272 . . . . 0.0 112.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 92.2 mt -88.74 -73.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 569' ' ' MET . 88.8 t -39.29 -39.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.14 -42.67 62.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.87 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -84.54 24.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.1 tp -55.38 -47.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.529 ' N ' HG23 ' A' ' 566' ' ' ILE . 45.6 m-80 -46.06 -47.67 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.2 -52.5 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 562' ' ' VAL . 55.6 mtp -51.77 -50.68 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.6 t-160 -52.82 -49.08 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.0 mt -51.85 -47.72 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.69 -46.79 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.626 HG21 ' O ' ' A' ' 545' ' ' PRO . 22.1 mm -57.2 -41.38 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -66.67 -34.28 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -66.25 -42.3 88.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.488 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -63.85 -45.02 91.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 577' ' ' ARG . 15.0 mtp-105 -71.12 -42.89 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -38.48 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 10.1 ptm -75.41 147.73 82.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 173.79 10.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 10.8 mt -89.45 15.89 8.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 42.4 mt 38.1 40.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -49.16 165.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 94.6 p -40.2 -49.44 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.58 83.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.75 145.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 588' ' ' ALA . . . -45.91 171.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 587' ' ' ALA . . . -35.4 139.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 151.84 87.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.67 144.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -49.0 148.86 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -63.5 102.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 1.8 m -51.76 157.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 18.5 t -152.71 122.49 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -120.53 88.59 0.43 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.11 8.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 58.8 p -170.37 166.45 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 77.9 p -119.8 152.53 37.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 46.8 m -104.37 142.32 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 95.2 p -165.66 112.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -105.65 127.28 8.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 28.4 p -161.52 131.05 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 3.1 m -168.83 173.19 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 91.39 -43.47 2.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 150.51 37.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 93.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 43.6 mt -105.88 93.45 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.19 -39.45 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.53 HG23 ' OG ' ' A' ' 490' ' ' SER . 95.0 m -51.96 98.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.01 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -106.5 43.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.53 ' OG ' HG23 ' A' ' 487' ' ' THR . 21.4 p -125.14 172.3 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 493' ' ' GLU . 0.3 OUTLIER -174.29 125.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 492' ' ' LEU . 0.7 OUTLIER -34.35 -34.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 491' ' ' TYR . 25.4 tt0 -41.26 -53.82 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.717 HD11 ' CZ ' ' A' ' 510' ' ' PHE . 0.6 OUTLIER -49.07 -34.27 13.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 492' ' ' LEU . 11.8 t80 -75.74 -30.3 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -112.63 57.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 498' ' ' GLN . 2.0 tptm -116.33 -173.16 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 499' ' ' LYS . 78.2 mt-30 -34.33 -58.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 499' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 498' ' ' GLN . 4.6 mtmp? -34.21 116.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 499' ' ' LYS . 30.1 mtpt -35.37 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -171.75 174.15 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 78.5 mt -111.83 150.07 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 504' ' ' THR . 32.0 m-20 -91.37 155.64 18.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 503' ' ' ASN . 55.9 m -34.55 -61.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -56.88 -49.39 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -50.92 -40.81 57.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.04 -52.37 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 55.8 m -49.66 -46.42 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -68.25 -46.07 71.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.717 ' CZ ' HD11 ' A' ' 494' ' ' LEU . 21.2 t80 -48.45 -40.49 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.73 -47.14 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.92 -44.52 78.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.96 -53.33 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 514' ' ' PHE . 4.9 t80 -45.59 -49.75 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.39 -58.83 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -49.37 -55.79 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -44.59 -54.45 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.6 -26.68 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -66.22 -49.63 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 96.9 m -67.13 -35.25 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -39.3 -40.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -54.75 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -55.93 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.457 ' OE1' HD21 ' A' ' 561' ' ' LEU . 5.3 mm-40 -71.58 -27.83 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 524' ' ' GLU . 0.4 OUTLIER 48.05 50.8 15.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 524' ' ' GLU . 2.0 mp0 -146.56 172.68 13.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.5 m -59.11 137.76 57.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 529' ' ' GLY . 25.9 m-85 -48.0 -57.18 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.69 -55.13 1.76 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.05 -45.28 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.6 -64.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.5 tp -159.53 122.72 1.98 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.8 Cg_endo -69.71 168.58 21.07 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -69.79 -62.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 536' ' ' MET . 10.3 p80 -40.31 -52.14 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.585 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 18.7 ttm -60.52 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 536' ' ' MET . 41.5 ttp -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.51 -51.23 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -41.18 -43.24 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.527 HD11 ' SG ' ' A' ' 554' ' ' CYS . 21.9 mt -73.41 -47.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -56.12 -31.96 63.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.65 -45.88 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.07 -43.94 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.452 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.8 mt 56.76 53.31 6.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 54.0 Cg_endo -69.72 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -52.56 -51.95 57.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.6 mm-40 -78.75 159.76 73.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.685 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -19.59 35.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.89 -46.66 88.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.83 -21.18 22.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -85.22 -24.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 55.6 mt -85.62 -51.14 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.98 -27.71 53.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 540' ' ' ILE . 3.1 p -51.72 -32.79 31.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.637 ' HB3' HG22 ' A' ' 558' ' ' VAL . 6.1 t -107.39 152.94 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.3 t30 -168.35 108.42 0.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 110.91 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.78 174.68 39.64 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.343 -0.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 555' ' ' CYS . 90.5 t -109.5 127.05 27.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.78 27.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.457 HD21 ' OE1' ' A' ' 524' ' ' GLU . 59.1 mt -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.28 -34.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 566' ' ' ILE . 11.8 tpt180 -83.39 -46.6 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.96 -54.22 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.09 14.3 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.563 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.6 tp -49.03 -40.92 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 566' ' ' ILE . 11.7 m120 -54.14 -49.94 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 571' ' ' LEU . 5.1 tp10 -58.59 -53.34 59.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 45.1 mtp -50.08 -52.62 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -50.9 -49.74 58.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 568' ' ' GLU . 57.2 mt -51.33 -49.52 61.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 35.6 mt -52.5 -56.28 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.6 mm -48.9 -42.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -68.59 -30.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.13 -26.58 62.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 11.6 mtp-105 -84.42 -38.54 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 577' ' ' ARG . 8.0 pt-20 -36.91 -40.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.78 143.51 43.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.604 0.716 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.443 HD23 ' HB ' ' A' ' 504' ' ' THR . 12.0 mt -108.16 102.63 11.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.467 ' CD2' ' H ' ' A' ' 582' ' ' LEU . 2.9 mm? -43.85 113.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.02 143.92 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.0 t -40.03 -53.93 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -57.87 108.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.64 138.39 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -118.22 89.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -62.52 168.94 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -83.7 137.61 16.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.52 147.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -132.47 122.44 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 160.56 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.1 p -48.25 114.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 83.4 p -166.62 134.16 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -167.45 83.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 597' ' ' SER . 54.0 Cg_endo -69.76 -47.87 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 596' ' ' PRO . 88.2 p 34.67 44.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 53.8 p -122.36 159.42 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.2 m -83.11 43.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 23.8 t -40.37 116.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 79.36 108.26 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 80.8 p -173.24 129.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 32.1 t -104.92 137.98 41.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -149.34 120.21 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -55.39 159.57 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.703 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 28.5 mm -111.69 135.78 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.719 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 45.5 t80 -111.17 -32.82 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 4.9 t -160.0 147.59 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.85 53.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.65 36.7 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 94.8 p -127.43 114.16 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.94 -35.91 4.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.21 -17.54 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -56.1 -37.04 68.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.777 HD23 ' H ' ' A' ' 494' ' ' LEU . 0.6 OUTLIER -88.74 -32.3 17.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.55 -58.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 497' ' ' LYS . 0.2 OUTLIER -49.46 -54.41 17.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 496' ' ' ARG . 24.1 mttp -34.79 -54.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -48.53 122.23 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -46.42 -57.44 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -77.94 160.19 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.21 168.69 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 538' ' ' LEU . 92.9 mt -113.8 148.59 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -91.75 171.08 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 29.0 m -44.19 -63.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -51.72 -59.03 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -43.5 -49.5 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.39 -50.07 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.8 m -55.21 -53.97 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.95 -43.97 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -52.4 -53.03 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.46 -53.28 56.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.86 -47.94 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 514' ' ' PHE . 89.5 mt -59.88 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.719 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 8.5 t80 -34.78 -61.35 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.64 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.62 -51.54 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -47.34 -51.42 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 33.2 t0 -61.23 -46.59 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 1.0 OUTLIER -50.42 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 79.5 m -59.05 -40.59 85.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.13 -43.55 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 522' ' ' ARG . 4.3 tmt_? -68.81 -54.31 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -49.87 -43.74 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.11 -34.33 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 8.2 t0 70.92 42.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -126.56 170.45 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 97.4 p -59.12 133.92 56.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 486' ' ' PHE . 65.1 m-85 -53.27 -42.62 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.26 55.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -48.35 -57.79 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 561' ' ' LEU . 98.2 t -43.41 -62.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.2 tp -159.57 118.77 1.67 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.7 173.41 10.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.759 2.306 . . . . 0.0 112.341 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -70.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 533' ' ' PRO . 5.1 p80 -40.09 -54.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.435 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 43.9 ttm -57.67 -58.52 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 536' ' ' MET . 13.5 ttp -36.76 -51.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' LEU . . . . . 0.561 ' CD2' HD11 ' A' ' 502' ' ' LEU . 29.3 mt -61.58 -57.54 11.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -37.84 -42.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.434 HD11 ' SG ' ' A' ' 554' ' ' CYS . 67.9 mt -70.98 -56.27 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -49.95 -36.74 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 61.8 mt-10 -74.7 -38.96 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.6 -45.6 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.457 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.9 mt 55.18 52.9 8.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.8 Cg_endo -69.71 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -47.57 -31.2 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.5 mt-10 -95.99 157.8 35.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.779 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.73 -26.78 27.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.87 -43.39 94.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -55.16 -23.17 31.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -82.92 -21.41 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.98 -46.81 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.55 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 540' ' ' ILE . 11.9 p -52.08 -41.57 62.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.991 ' HB3' HG22 ' A' ' 558' ' ' VAL . 3.7 t -94.06 147.63 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 16.1 p30 -166.69 104.99 0.66 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.5 Cg_endo -69.79 176.87 30.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.329 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 555' ' ' CYS . 91.9 t -112.18 128.91 24.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.2 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.9 30.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 531' ' ' VAL . 96.3 mt -70.63 -63.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.5 t -44.98 -37.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 566' ' ' ILE . 21.9 tpt85 -81.74 -41.26 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -59.47 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -92.86 23.77 4.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.8 tp -53.37 -41.18 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 566' ' ' ILE . 10.7 m-20 -53.93 -50.28 66.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.68 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.1 mtp -50.45 -52.45 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.6 t-160 -49.87 -50.58 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.42 -44.83 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.6 -47.53 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 544' ' ' LEU . 50.3 mm -55.15 -46.26 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -60.88 -42.16 97.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.24 -46.11 79.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -60.78 -31.36 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -81.97 -30.62 31.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -46.09 -46.53 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.446 ' HB2' ' HE2' ' A' ' 579' ' ' MET . 4.1 ppp? -76.53 142.66 71.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 178.2 4.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 7.5 mt -109.12 111.44 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 12.3 mt -89.31 146.5 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -137.01 174.8 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 53.0 m -131.59 -54.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -123.9 155.95 37.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 9.6 p -100.3 141.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -137.21 139.15 40.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -164.51 173.04 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -136.6 -133.25 3.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.28 170.67 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -139.59 109.0 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -169.33 160.56 9.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.0 m 69.06 54.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 89.8 p -102.75 -30.73 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -148.28 -158.66 8.08 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 124.9 11.54 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 21.7 p -128.89 160.43 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 15.0 m -97.47 142.55 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 80.4 p -168.98 135.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 63.3 p -44.41 -58.74 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 143.03 -44.58 0.95 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 59.1 p -100.35 -30.07 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.8 m -53.56 159.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 123.28 141.73 5.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 483' ' ' LYS . 0.0 OUTLIER -76.96 161.18 74.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.701 . . . . 0.0 110.892 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.321 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.689 ' H ' HD12 ' A' ' 485' ' ' ILE . 4.1 mp -76.49 159.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 518' ' ' ASP . 9.4 t80 -96.67 -43.23 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.5 t -73.7 -25.21 60.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.63 -53.54 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.92 137.02 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 95.1 p -91.47 131.58 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 491' ' ' TYR . 0.3 OUTLIER -82.65 37.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 492' ' ' LEU . 0.4 OUTLIER -93.56 -39.74 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.74 -54.35 20.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.559 HD11 ' HZ ' ' A' ' 510' ' ' PHE . 0.9 OUTLIER -51.26 -39.45 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.532 ' CD2' ' HG2' ' A' ' 496' ' ' ARG . 9.9 t80 -65.54 -56.81 10.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.532 ' HG2' ' CD2' ' A' ' 495' ' ' TYR . 17.0 mmt180 -85.62 45.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 498' ' ' GLN . 4.1 mmpt? -73.64 82.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 497' ' ' LYS . 9.9 mp0 34.28 41.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -135.16 166.64 22.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -62.4 162.82 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.35 147.51 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 64.2 mt -81.64 172.17 13.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -91.55 166.51 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.501 HG21 ' H ' ' A' ' 582' ' ' LEU . 8.9 m -44.3 -58.57 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -57.91 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -42.01 -47.05 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.66 -58.93 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 89.9 m -45.96 -52.23 12.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -58.85 -45.09 90.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.559 ' HZ ' HD11 ' A' ' 494' ' ' LEU . 42.5 t80 -55.89 -47.75 76.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.62 -44.44 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 572' ' ' LEU . 32.8 mt -60.39 -50.69 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.75 -45.77 85.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.416 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 30.9 t80 -51.41 -61.22 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.84 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -49.53 -50.15 43.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -50.32 -51.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 10.0 t70 -60.51 -48.53 81.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -59.99 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 91.0 m -56.94 -56.61 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.01 -28.74 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -76.15 -33.16 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -81.39 -46.18 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -27.59 63.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 64.92 45.15 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.75 178.84 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.3 t -59.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.59 -58.53 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -51.73 -42.24 52.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -46.84 -45.69 20.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.41 . . . . 0.0 110.927 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 561' ' ' LEU . 99.0 t -62.61 -64.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 12.8 tp -155.51 105.02 2.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.7 Cg_endo -69.76 157.65 59.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -51.11 -54.11 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.637 ' CG ' ' N ' ' A' ' 536' ' ' MET . 1.9 p80 -43.58 -53.78 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.637 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 35.3 tpp -64.2 -59.53 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 11.6 ttp -39.18 -48.4 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.68 -53.6 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -49.85 -43.25 48.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 36.0 mt -70.63 -58.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -45.14 28.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -69.12 -44.61 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.02 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.515 ' HA ' HG23 ' A' ' 573' ' ' ILE . 65.9 mt 62.63 54.05 2.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.76 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 0.0 OUTLIER -54.19 -35.0 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 10.9 mt-10 -95.77 161.14 28.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.411 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.8 Cg_endo -69.74 -27.29 26.74 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -56.62 -44.88 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -52.27 -36.01 44.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 5.0 mp -76.22 -23.35 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.448 ' CG2' HG21 ' A' ' 558' ' ' VAL . 51.8 mt -83.94 -41.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.94 68.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 15.2 p -41.25 -35.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.529 ' HB2' HG22 ' A' ' 558' ' ' VAL . 59.9 m -93.19 134.81 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 28.5 t-20 -162.74 104.97 1.05 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.8 172.17 50.41 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 -0.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 555' ' ' CYS . 84.7 t -98.15 126.4 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.02 28.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -4.4 13.91 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 564' ' ' GLN . 42.4 mt -93.02 -75.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 84.8 t -36.29 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -76.52 -41.28 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.3 tt0 -68.13 -54.73 15.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -85.8 18.31 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.418 HG12 HD11 ' A' ' 552' ' ' ILE . 4.4 tp -50.61 -38.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 566' ' ' ILE . 13.0 m120 -58.65 -49.51 77.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.8 -52.95 62.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.418 ' HE1' HD22 ' A' ' 532' ' ' LEU . 36.9 mmm -50.39 -57.52 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.3 t-160 -48.46 -46.08 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 512' ' ' LEU . 42.4 mt -52.72 -48.44 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 544' ' ' LEU . 47.9 mm -55.99 -41.49 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -67.17 -29.02 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.26 -37.31 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -85.85 -21.34 28.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -88.15 -42.03 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.78 -42.6 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.22 141.49 86.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.55 2.39 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.1 mt -100.03 100.59 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.501 ' H ' HG21 ' A' ' 504' ' ' THR . 25.7 mt -78.13 -66.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -79.91 86.42 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -140.39 129.63 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.51 81.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 587' ' ' ALA . 10.9 p -172.77 140.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 586' ' ' VAL . . . 74.82 41.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 587' ' ' ALA . . . -36.62 124.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 60.54 90.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 592' ' ' LYS . 11.4 p -121.2 146.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.394 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 34.39 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 590' ' ' VAL . 32.2 mttm -69.36 167.53 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 66.4 m -123.01 106.04 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 75.2 m -136.12 160.53 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -149.57 115.26 0.71 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.36 60.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.4 t -63.67 -43.49 96.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 53.6 p 43.62 42.28 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 476' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 477' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 476' ' ' GLY . 82.4 p 35.85 42.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.863 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 74.1 m -158.87 118.77 3.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -76.62 -127.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 1.5 t -101.19 142.54 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.8 m -52.38 -58.64 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 483' ' ' LYS . . . -80.07 -164.78 30.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 483' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 482' ' ' GLY . 3.4 pptp? -38.19 150.41 0.19 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 136.7 33.77 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.736 2.29 . . . . 0.0 112.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 27.6 mt -73.83 -44.24 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 518' ' ' ASP . 4.2 t80 68.28 37.54 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 486' ' ' PHE . 55.0 m -33.6 144.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.9 177.31 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' GLU . . . . . 0.494 ' OE1' HD21 ' A' ' 492' ' ' LEU . 6.1 pt-20 -53.22 102.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 46.9 t -99.96 -35.63 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 493' ' ' GLU . 0.2 OUTLIER -88.24 28.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' A' ' 489' ' ' GLU . 11.7 mt -38.57 -25.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 491' ' ' TYR . 2.7 tp10 -37.69 -53.79 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 495' ' ' TYR . 1.4 pt? -44.86 -40.4 6.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.944 ' OH ' HD21 ' A' ' 507' ' ' LEU . 2.3 t80 -49.17 -41.51 36.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 496' ' ' ARG . 0.1 OUTLIER -113.3 17.32 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.415 ' HD2' ' CG ' ' A' ' 493' ' ' GLU . 22.0 tttm -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.624 ' CG ' HD13 ' A' ' 538' ' ' LEU . 9.1 mm100 -68.33 -70.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -147.06 -175.3 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -46.2 171.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.97 173.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 31.3 mt -107.24 158.46 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -86.81 -178.0 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.7 m -55.48 -62.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.407 ' HB2' HD21 ' A' ' 581' ' ' LEU . 65.2 mt-30 -52.87 -57.9 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -41.17 -57.37 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.944 HD21 ' OH ' ' A' ' 495' ' ' TYR . 29.8 mt -49.36 -63.92 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.449 HG21 ' HA ' ' A' ' 576' ' ' ALA . 60.2 m -36.39 -45.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -70.53 -44.39 67.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.17 -49.19 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.04 -44.8 96.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.16 -46.85 82.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.89 -50.41 56.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 514' ' ' PHE . 3.9 t80 -44.53 -51.92 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.76 75.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.07 -54.5 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 20.1 ttp180 -52.42 -56.31 15.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 486' ' ' PHE . 30.4 t0 -55.59 -32.64 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -70.18 -60.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 45.9 m -55.79 -34.42 65.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -40.7 -43.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 522' ' ' ARG . 5.8 mmm180 -69.67 -53.6 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.14 -51.98 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.76 -28.67 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.3 46.06 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -126.0 167.27 15.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 47.6 m -60.68 135.47 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.413 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 33.1 m-85 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -47.28 -56.25 8.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -44.54 -44.5 8.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.461 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 74.9 t -58.99 -62.66 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 536' ' ' MET . 18.6 tp -157.86 118.44 1.95 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.76 175.05 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -73.6 -64.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 536' ' ' MET . 9.1 p-80 -38.71 -43.27 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 555' ' ' CYS . 38.3 ttm -68.3 -57.57 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 23.0 ttp -49.06 -55.48 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 498' ' ' GLN . 19.7 mt -56.65 -53.56 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -43.49 -49.41 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.434 HD13 HG23 ' A' ' 551' ' ' ILE . 93.9 mt -67.77 -58.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.93 -35.18 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -85.25 -35.38 21.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.52 -48.5 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 46.8 mt 63.61 51.82 1.35 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.2 OUTLIER -41.81 -29.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 40.8 mt-10 -97.46 154.64 37.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.725 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -19.39 36.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -67.39 -46.05 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.53 -26.75 24.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -80.91 -21.38 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 HG12 ' A' ' 566' ' ' ILE . 58.9 mt -92.83 -35.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 540' ' ' ILE . 31.7 p -50.01 -29.74 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.493 ' HB3' ' CE ' ' A' ' 536' ' ' MET . 1.3 p -103.21 139.46 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.3 t-20 -157.07 107.82 1.91 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.72 -179.19 18.42 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 -0.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 559' ' ' PRO . 58.6 t -98.95 133.49 22.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.447 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.78 156.62 62.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.01 11.15 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 564' ' ' GLN . 89.7 mt -98.9 -71.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.417 HG13 ' SD ' ' A' ' 569' ' ' MET . 69.5 t -37.77 -36.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -74.57 -40.79 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 561' ' ' LEU . 6.5 mt-30 -69.98 -53.93 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.85 22.08 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.602 HG12 HD11 ' A' ' 552' ' ' ILE . 6.1 tp -54.05 -39.33 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' ASN . . . . . 0.425 ' N ' HG23 ' A' ' 566' ' ' ILE . 15.2 m120 -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.45 -55.72 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.417 ' SD ' HG13 ' A' ' 562' ' ' VAL . 39.3 mtp -48.75 -53.32 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -50.95 -49.71 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.19 -44.41 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.98 -53.2 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 46.3 mm -50.97 -38.77 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -69.81 -33.23 72.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.74 -24.92 61.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -86.6 -27.76 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 578' ' ' GLU . 44.8 mtp85 -86.65 -42.25 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 577' ' ' ARG . 11.2 pt-20 -36.76 -42.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.83 142.37 45.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.43 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 505' ' ' GLN . 13.3 mt -113.58 123.76 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 5.0 mp -95.66 93.46 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -143.54 166.61 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 1.3 t -42.36 142.96 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -50.16 157.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 10.7 p -168.62 143.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -55.88 98.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -165.79 134.44 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -80.02 96.33 1.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 59.5 t -118.69 134.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 111.104 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.54 171.55 17.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -125.16 171.76 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 5.0 t -111.03 167.47 10.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 32.6 t -136.2 149.69 48.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -108.03 124.4 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.23 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 2.2 m -137.24 170.68 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 15.3 t -67.31 -61.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 26.6 m -106.95 85.19 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 4.1 m -161.39 157.36 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 145.87 137.25 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 54.5 m -144.49 150.55 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.2 t -86.32 -57.84 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -168.19 -168.09 29.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.537 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 138.88 28.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 164.03 36.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 50.2 mm -119.17 -36.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.78 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 27.2 m-85 -84.33 -32.2 24.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 488' ' ' ASP . 24.5 m -51.38 -48.8 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 488' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 487' ' ' THR . 4.2 m-20 -36.36 131.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -78.56 -14.19 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 32.7 t -101.64 133.18 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -112.81 -52.57 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 492' ' ' LEU . 0.6 OUTLIER -38.99 -48.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -45.24 -53.87 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.612 HD21 ' HZ ' ' A' ' 510' ' ' PHE . 13.7 tp -50.84 -49.46 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.579 ' CE1' HD21 ' A' ' 507' ' ' LEU . 6.9 t80 -59.73 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.536 ' HG2' ' CD2' ' A' ' 495' ' ' TYR . 12.1 mmm180 -84.66 49.51 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -85.5 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 500' ' ' LYS . 21.2 mp0 -104.21 142.95 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.46 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 500' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 498' ' ' GLN . 32.7 ttpt -64.49 116.65 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 538' ' ' LEU . 90.2 mt -86.73 153.27 21.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -94.63 -177.01 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.847 HG21 ' H ' ' A' ' 582' ' ' LEU . 52.2 m -52.63 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -55.62 -59.85 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -42.18 -58.71 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 495' ' ' TYR . 33.1 mt -48.73 -44.85 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.485 HG21 ' SD ' ' A' ' 579' ' ' MET . 24.0 m -53.62 -47.89 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.59 90.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.612 ' HZ ' HD21 ' A' ' 494' ' ' LEU . 90.5 t80 -52.58 -44.99 66.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -64.05 -50.86 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 576' ' ' ALA . 45.5 mt -54.26 -46.97 72.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 541' ' ' ALA . 83.9 mt -60.8 -48.54 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.78 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 39.4 t80 -47.65 -60.44 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.28 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' TRP . . . . . 0.514 ' CZ3' ' SD ' ' A' ' 569' ' ' MET . 39.9 t90 -58.9 -41.75 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 34.1 ttt180 -54.28 -54.61 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.517 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 5.6 t70 -57.38 -38.44 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.3 tmmm? -58.02 -52.47 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.463 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.3 m -74.25 -21.28 59.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -76.55 -42.71 41.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -70.78 -34.17 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -75.76 -47.09 27.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 524' ' ' GLU . 0.0 OUTLIER -79.52 -7.85 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 41.64 52.49 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.83 171.26 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -59.96 131.47 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.6 49.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.28 -42.15 81.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.97 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.456 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 22.3 tp -141.21 108.88 6.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.96 61.6 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 535' ' ' HIS . 54.5 t30 -47.73 -61.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.6 p-80 -37.22 -52.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.612 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 26.2 tpp -65.98 -52.83 46.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 537' ' ' MET . . . . . 0.454 ' HG3' HD13 ' A' ' 513' ' ' LEU . 20.3 ttp -48.61 -61.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 538' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 502' ' ' LEU . 32.0 mt -49.0 -56.85 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -43.64 -43.64 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.876 HD11 ' SG ' ' A' ' 554' ' ' CYS . 70.5 mt -71.31 -58.63 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.544 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -48.58 -30.02 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.7 -34.51 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.36 -52.68 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.739 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.0 mt 61.55 53.0 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 4.2 ptmm? -38.41 -54.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -81.05 156.09 72.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.526 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.83 -42.17 95.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -58.17 -29.11 62.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -78.18 -22.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 21.8 mt -86.22 -40.5 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -43.71 -31.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.86 145.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.8 m120 -165.56 108.04 0.76 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.8 Cg_endo -69.72 175.33 36.86 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.371 -0.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 559' ' ' PRO . 48.2 t -96.93 133.45 24.25 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.7 Cg_endo -69.74 158.6 56.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.18 15.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' GLN . 96.0 mt -96.61 -73.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -37.99 -35.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.8 tpt85 -73.67 -43.11 60.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 561' ' ' LEU . 29.9 tt0 -70.44 -54.37 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.08 21.44 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 551' ' ' ILE . 7.5 tp -54.81 -40.18 51.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -53.68 -45.6 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -63.97 -54.6 31.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' MET . . . . . 0.514 ' SD ' ' CZ3' ' A' ' 516' ' ' TRP . 64.7 mmm -50.53 -50.68 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.8 t-160 -52.03 -53.31 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.95 -49.53 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.82 -54.88 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 544' ' ' LEU . 16.1 mm -46.55 -46.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' GLN . . . . . 0.723 ' N ' HE21 ' A' ' 574' ' ' GLN . 1.3 mm-40 -63.73 -36.63 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 578' ' ' GLU . 20.0 mt-30 -70.18 -21.41 63.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.425 ' HB2' HD12 ' A' ' 512' ' ' LEU . . . -93.31 -35.39 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -40.09 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 579' ' ' MET . 16.2 pt-20 -47.78 -46.76 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.485 ' SD ' HG21 ' A' ' 508' ' ' THR . 15.1 ptm -65.76 145.5 99.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.02 100.79 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.976 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.847 ' H ' HG21 ' A' ' 504' ' ' THR . 61.2 mt -72.85 82.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -164.28 171.64 14.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 2.1 t -103.65 41.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -115.14 164.8 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.44 145.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . 66.23 41.13 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -96.53 86.54 4.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 76.5 -176.32 52.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.05 144.04 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.39 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -121.76 149.39 43.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.2 p -131.89 134.71 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 69.4 p -169.38 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -63.82 -168.42 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.89 34.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.5 t -174.21 176.27 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 49.4 m -48.21 144.55 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 97.2 p -161.64 136.73 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 2.0 t 56.13 42.29 28.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -71.9 -157.39 3.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 4.3 m -129.54 110.66 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -152.66 115.06 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 76.0 -141.26 26.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 483' ' ' LYS . 0.1 OUTLIER -145.98 140.88 16.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.549 0.69 . . . . 0.0 110.905 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 147.42 62.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.56 HG22 ' H ' ' A' ' 488' ' ' ASP . 64.1 mt -112.46 87.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -44.98 -54.11 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 85.4 m -38.71 -57.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' ASP . . . . . 0.56 ' H ' HG22 ' A' ' 485' ' ' ILE . 4.3 t70 -41.0 114.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -91.61 40.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 43.5 t -94.6 118.29 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -133.29 41.07 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.558 HD23 ' NH2' ' A' ' 496' ' ' ARG . 9.6 tp -93.32 -50.99 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 492' ' ' LEU . 30.6 tt0 -34.95 -54.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.21 -56.18 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.552 ' CD1' HD21 ' A' ' 507' ' ' LEU . 16.6 t80 -43.14 -60.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.558 ' NH2' HD23 ' A' ' 492' ' ' LEU . 40.1 mtm180 -89.22 41.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.52 -50.0 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -105.65 -71.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -155.94 158.51 38.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -81.55 83.89 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -107.91 -33.06 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.973 HD22 ' HB3' ' A' ' 506' ' ' GLN . 29.0 mt -73.01 153.46 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -118.94 -72.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.447 ' CB ' ' H ' ' A' ' 582' ' ' LEU . 55.4 m -135.0 -71.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 505' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 506' ' ' GLN . 78.0 mt-30 -52.43 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 506' ' ' GLN . . . . . 0.973 ' HB3' HD22 ' A' ' 502' ' ' LEU . 55.8 mt-30 -36.65 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 495' ' ' TYR . 17.6 mt -66.59 -49.4 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.9 m -50.32 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.471 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -64.49 -49.03 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -63.48 -53.53 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.428 ' HB3' HD22 ' A' ' 572' ' ' LEU . 50.9 mt -52.81 -45.09 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.08 -53.11 61.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.73 -51.79 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.11 71.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -52.78 -44.52 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -60.51 -42.66 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 519' ' ' LYS . 0.3 OUTLIER -57.77 -63.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.847 HG22 ' HG2' ' A' ' 524' ' ' GLU . 21.4 m -59.37 -42.35 91.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -33.59 -53.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.05 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -57.51 -42.67 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.847 ' HG2' HG22 ' A' ' 520' ' ' THR . 52.7 mm-40 -70.94 -31.0 67.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 43.4 t0 65.97 41.64 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.73 167.07 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 65.6 p -59.31 152.14 21.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.66 -59.5 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.7 11.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.0 -50.16 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.97 0.414 . . . . 0.0 110.954 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.744 HG13 HD13 ' A' ' 561' ' ' LEU . 57.4 t -61.8 -61.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.0 tp -154.81 105.01 2.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.1 Cg_endo -69.74 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -54.47 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.8 p80 -47.79 -48.81 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 536' ' ' MET . . . . . 0.563 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 31.4 ttm -64.8 -59.71 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 16.5 ttp -45.58 -46.55 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 539' ' ' LYS . 26.8 mt -63.52 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 538' ' ' LEU . 5.7 ttmm -34.44 -38.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.686 HD11 ' SG ' ' A' ' 554' ' ' CYS . 64.9 mt -78.18 -54.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.91 40.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.03 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.95 -53.11 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.465 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 70.6 mt 62.79 52.54 1.74 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.73 109.79 2.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 11.1 ptmm? -52.09 -42.65 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -86.35 158.12 55.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.573 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.6 Cg_endo -69.72 -18.35 37.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -63.69 -48.9 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.425 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -51.23 -29.27 21.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -80.29 -25.55 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.17 -38.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -71.62 -43.13 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.686 ' SG ' HD11 ' A' ' 540' ' ' ILE . 9.6 p -41.81 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 553' ' ' ALA . 1.9 p -115.28 132.92 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 17.0 t-20 -153.44 111.5 2.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 52.9 Cg_endo -69.79 173.46 44.65 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.84 127.84 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' PRO . . . . . 0.601 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.78 161.46 45.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.71 8.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.744 HD13 HG13 ' A' ' 531' ' ' VAL . 94.8 mt -99.15 -64.32 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 559' ' ' PRO . 98.6 t -42.39 -41.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.23 -41.56 57.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.85 -58.79 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -94.69 31.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.3 tp -55.57 -39.91 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -55.8 -47.75 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.87 -49.26 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.03 -51.16 62.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 7.5 t-160 -52.91 -46.86 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 97.2 mt -53.86 -46.48 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 512' ' ' LEU . 38.2 mt -56.45 -48.36 77.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.423 HG23 ' HA ' ' A' ' 544' ' ' LEU . 46.9 mm -56.25 -38.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.52 -30.28 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.35 -33.5 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.3 -26.3 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -84.59 -44.61 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 579' ' ' MET . 24.4 pt-20 -49.63 -40.51 39.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' MET . . . . . 0.494 ' HE1' ' HG3' ' A' ' 583' ' ' LYS . 5.0 ppp? -71.23 142.51 87.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.67 68.69 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.447 ' C ' ' HG ' ' A' ' 582' ' ' LEU . 10.4 mt -68.93 163.03 25.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 582' ' ' LEU . 2.7 pp 34.63 50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.494 ' HG3' ' HE1' ' A' ' 579' ' ' MET . 50.4 mtmt -33.53 -55.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 21.0 t -73.61 120.69 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 98.53 11.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.91 -18.13 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -169.8 111.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -59.41 97.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -72.07 145.66 38.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.4 137.25 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.926 0.393 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -103.51 165.11 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 4.6 m -137.51 150.68 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 40.9 p -172.83 172.2 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 119.18 90.09 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 37.0 t -169.48 157.36 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 33.6 m -57.53 130.47 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.3 t -162.47 120.2 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 11.7 t -81.96 166.81 19.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -161.82 173.75 38.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 13.1 t -143.95 151.08 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 1.4 t -40.71 146.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 47.64 -138.7 10.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -141.77 130.93 12.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 49.7 mm -56.07 134.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.651 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 5.1 t80 -78.33 -43.49 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 487' ' ' THR . 6.7 t -80.1 84.6 5.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.42 164.4 15.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 -6.85 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.7 t -164.42 106.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 491' ' ' TYR . 0.3 OUTLIER -96.56 26.71 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.18 -48.1 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -42.27 -44.77 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 494' ' ' LEU . 5.2 tt -59.08 -49.19 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' TYR . . . . . 0.814 ' CE1' HD21 ' A' ' 507' ' ' LEU . 1.4 t80 -56.17 -52.79 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' ARG . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 496' ' ' ARG . 9.4 mtm105 -92.54 57.02 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 498' ' ' GLN . 0.0 OUTLIER -84.25 28.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 497' ' ' LYS . 10.2 pt20 43.76 50.0 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -173.03 124.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.76 54.56 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 501' ' ' HIS . 9.9 p80 -46.19 117.73 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.485 HD23 ' OE2' ' A' ' 542' ' ' GLU . 69.0 mt -80.65 152.45 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.36 -175.0 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 83.2 m -48.56 -65.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -52.78 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -39.41 -50.46 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.814 HD21 ' CE1' ' A' ' 495' ' ' TYR . 20.9 mt -52.87 -49.2 66.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 69.9 m -53.1 -48.68 67.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ALA . . . . . 0.487 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -63.92 -48.25 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' PHE . . . . . 0.544 ' CZ ' HD22 ' A' ' 494' ' ' LEU . 73.6 t80 -48.02 -45.83 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -65.01 -47.85 76.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.6 -47.67 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.58 -57.2 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 10.7 t80 -39.29 -58.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.72 -51.92 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -53.64 -42.39 67.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 528' ' ' TYR . 7.5 ttt-85 -56.2 -53.33 58.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 10.6 t0 -59.37 -40.63 87.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -61.24 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 520' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 94.9 m -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.91 -59.78 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -55.88 -45.53 78.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -63.38 -27.33 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 525' ' ' ASP . 73.9 mm-40 -95.64 19.05 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 524' ' ' GLU . 4.7 t0 36.7 34.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 526' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 8.2 tp10 -120.73 162.18 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.5 t -69.2 149.12 48.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 517' ' ' ARG . 46.2 m-85 -55.82 -60.33 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -42.77 -61.2 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.477 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.429 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 58.4 t80 -36.74 -61.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 531' ' ' VAL . . . . . 0.529 HG13 HD13 ' A' ' 561' ' ' LEU . 99.8 t -43.0 -67.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.4 tp -148.71 108.52 3.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.583 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.0 Cg_endo -69.79 -173.96 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 535' ' ' HIS . 4.5 m120 -73.07 -67.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 6.4 p-80 -35.64 -46.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 37.0 tpp -67.57 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 15.0 ttm -39.22 -63.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 28.9 mt -48.4 -59.48 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -40.73 -51.27 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ILE . . . . . 0.511 HD11 ' SG ' ' A' ' 554' ' ' CYS . 59.3 mt -65.4 -56.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -48.82 -32.28 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.485 ' OE2' HD23 ' A' ' 502' ' ' LEU . 18.6 mt-10 -81.78 -41.97 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.58 -40.45 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.0 mt 54.45 53.27 9.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.649 0.738 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 545' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 102.7 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -52.49 -30.91 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 12.2 mt-10 -96.79 157.77 34.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' PRO . . . . . 0.66 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.2 Cg_endo -69.76 -22.73 31.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.1 -38.88 92.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.83 -19.38 55.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -87.95 -18.62 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 558' ' ' VAL . 42.9 mt -91.28 -35.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' CYS . . . . . 0.511 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -50.33 -44.74 54.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 554' ' ' CYS . 2.2 p -85.51 138.43 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -162.11 107.08 1.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.83 176.93 30.83 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.365 -0.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 552' ' ' ILE . 48.2 t -92.99 131.6 32.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 160.35 50.02 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 531' ' ' VAL . 86.1 mt -96.65 -70.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 561' ' ' LEU . 53.4 t -35.43 -35.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 561' ' ' LEU . 5.2 tpt180 -78.13 -48.6 15.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 561' ' ' LEU . 22.0 tt0 -60.16 -50.75 72.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -98.12 21.6 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.7 tp -49.61 -36.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.38 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.63 -51.12 70.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 49.4 mtp -51.27 -52.77 41.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.97 -47.51 61.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 73.1 mt -53.55 -48.57 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 40.5 mt -53.48 -52.9 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 545' ' ' PRO . 35.3 mm -52.74 -41.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.12 -32.32 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -68.93 -30.86 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.09 -17.31 31.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -96.62 -26.43 15.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -54.0 -41.4 67.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -80.96 142.59 52.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.19 103.15 12.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.426 ' CD2' ' H ' ' A' ' 582' ' ' LEU . 2.1 mm? -46.25 -48.52 17.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -53.63 -58.12 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 71.1 m -77.42 167.64 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -121.15 82.48 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 587' ' ' ALA . 13.3 p -173.47 153.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 586' ' ' VAL . . . -125.82 82.56 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -75.96 123.84 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 60.69 108.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 55.7 t -119.72 77.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -140.46 179.63 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 150.07 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 9.0 m -105.38 -63.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 2.1 t -107.19 124.44 49.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -78.96 -81.78 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.5 3.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 94.0 p -130.01 100.93 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.0 t -95.4 163.62 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 506' ' ' GLN . 95.3 mt-30 -55.14 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 505' ' ' GLN . 55.6 mt-30 -36.93 -46.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.01 -49.39 76.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 42.6 m -48.44 -51.56 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.478 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -62.45 -39.43 93.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -51.85 -47.41 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -68.35 -44.89 74.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.37 -45.69 69.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.73 -52.15 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . 0.583 ' CE1' ' NH2' ' A' ' 517' ' ' ARG . 6.3 t80 -47.74 -61.03 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.33 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.583 ' NH2' ' CE1' ' A' ' 514' ' ' PHE . 35.6 ttp180 -53.59 -45.29 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . 0.484 ' OD1' ' NE ' ' A' ' 522' ' ' ARG . 2.4 t70 -61.73 -53.85 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 6.1 tmmm? -49.34 -62.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 51.9 m -62.04 -39.33 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -47.34 -51.0 20.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' A' ' 518' ' ' ASP . 1.2 mpp_? -68.27 -45.55 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -53.3 -43.56 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -80.74 1.81 28.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 25.0 t0 54.31 45.0 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -134.87 169.11 17.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.0 p -69.24 165.34 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -69.35 -56.22 8.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -48.1 -56.34 9.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -40.1 -48.02 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 93.3 t -56.88 -67.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.58 119.7 5.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.73 177.01 5.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -72.51 -59.37 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -45.62 -53.55 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.456 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.7 ttm -58.75 -56.9 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.3 ttm -44.62 -42.48 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.61 -60.39 2.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -38.6 -45.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.468 HD11 ' SG ' ' A' ' 554' ' ' CYS . 51.9 mt -67.05 -56.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.54 -30.9 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -80.63 -34.84 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.31 -46.54 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.564 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.5 mt 52.06 52.11 10.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.74 113.72 3.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.74 -26.34 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.413 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.2 mm-40 -101.85 157.22 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.477 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -20.78 34.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -64.33 -43.12 95.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.79 -26.08 38.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.8 mp -82.64 -30.0 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.445 ' CG2' HG21 ' A' ' 558' ' ' VAL . 53.3 mt -76.83 -36.9 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.84 79.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.468 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -41.82 -36.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.4 p -102.56 151.96 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.7 p-10 -165.89 106.96 0.73 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.76 -178.0 15.78 Favored 'Cis proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.359 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 559' ' ' PRO . 59.5 t -99.76 133.46 21.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.3 Cg_endo -69.8 160.98 47.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.85 14.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 564' ' ' GLN . 86.4 mt -96.59 -73.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 561' ' ' LEU . 90.1 t -37.34 -36.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -77.12 -41.21 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 561' ' ' LEU . 10.5 tt0 -68.22 -53.36 25.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -94.56 24.77 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.477 HD11 ' O ' ' A' ' 548' ' ' PRO . 7.3 tp -50.8 -43.38 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.3 m-80 -52.32 -45.45 65.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.25 -53.23 58.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 52.4 mmm -51.35 -50.26 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.408 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.3 t-160 -51.97 -53.83 36.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 75.9 mt -48.55 -48.27 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.87 -53.36 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 544' ' ' LEU . 27.4 mm -50.96 -40.82 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.49 -32.2 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.99 -25.9 63.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.06 -26.89 22.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -87.52 -37.15 17.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 579' ' ' MET . 13.8 pt-20 -48.06 -42.5 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . 0.409 ' N ' ' HG3' ' A' ' 578' ' ' GLU . 4.9 ppp? . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -49.21 -54.34 17.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -42.97 -43.5 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.11 -52.29 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 20.6 m -50.68 -38.85 49.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -55.32 -43.6 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -60.29 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.18 -50.85 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 32.5 mt -59.7 -45.54 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.43 -43.6 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.97 12.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.458 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 26.7 t90 -49.04 -53.1 21.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.458 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 14.9 ttp180 -51.61 -68.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 521' ' ' ALA . 30.8 t0 -54.05 -28.92 41.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -67.26 -67.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.428 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 33.8 m -54.62 -20.28 7.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -49.64 -47.52 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.06 -53.14 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -50.32 -45.97 55.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -76.42 -21.35 56.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.97 48.31 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . 0.537 ' OE2' ' CD2' ' A' ' 530' ' ' TYR . 7.7 tt0 -135.99 171.44 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 t -59.19 154.52 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 529' ' ' GLY . 52.5 m-85 -63.82 -58.3 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -38.23 -56.06 1.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.537 ' CD2' ' OE2' ' A' ' 526' ' ' GLU . 6.2 t80 -45.29 -58.23 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.517 ' HA ' HD12 ' A' ' 561' ' ' LEU . 90.3 t -47.28 -63.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.9 tp -164.62 117.86 0.98 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.3 Cg_endo -69.77 177.85 5.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.9 -60.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -43.75 -47.36 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.451 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 52.8 ttm -66.09 -56.09 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 41.7 ttp -46.58 -47.6 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.99 -54.6 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -40.63 -51.7 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.44 -50.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -51.73 -36.22 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.85 -38.07 46.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -62.03 -41.7 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 33.5 mt 55.05 51.9 7.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.565 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 113.77 3.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 13.1 pttm -57.16 -42.88 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.28 160.3 37.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.6 Cg_endo -69.75 -18.85 36.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -70.07 -33.34 71.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.58 72.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.6 mp -78.94 -33.22 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.543 ' CG2' HG21 ' A' ' 558' ' ' VAL . 57.6 mt -75.86 -32.85 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.77 74.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.1 m -62.49 -61.42 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.11 119.73 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.4 p30 -149.32 108.86 3.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.77 173.86 42.91 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 -0.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.543 HG21 ' CG2' ' A' ' 552' ' ' ILE . 53.7 t -92.4 129.99 39.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.8 Cg_endo -69.73 160.4 49.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.49 10.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 531' ' ' VAL . 98.5 mt -102.51 -63.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.621 HG13 ' SD ' ' A' ' 569' ' ' MET . 86.1 t -44.62 -37.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -74.26 -40.05 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.63 -59.05 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -87.06 19.01 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.4 tp -47.9 -47.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.558 ' N ' HG23 ' A' ' 566' ' ' ILE . 12.1 m120 -48.06 -52.52 19.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.73 -55.15 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.621 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.4 mtp -48.11 -47.7 34.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.0 t-160 -54.88 -50.34 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.76 -47.18 64.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.52 -47.19 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.565 HG21 ' O ' ' A' ' 545' ' ' PRO . 29.1 mm -57.1 -37.39 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 8.3 mm-40 -69.54 -37.82 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.02 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 546' ' ' LYS . 75.0 mtp180 -72.43 -38.92 68.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.56 -46.07 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.3 ptm . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -65.26 -49.29 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -52.15 -45.0 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.59 -54.12 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 32.6 m -45.48 -54.76 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -55.71 -47.81 76.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.06 -51.58 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -59.22 -47.45 85.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 572' ' ' LEU . 52.2 mt -53.67 -50.36 65.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.416 HD23 HD12 ' A' ' 572' ' ' LEU . 94.0 mt -63.14 -43.52 98.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.01 -53.49 26.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.63 92.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.422 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 47.3 t90 -55.53 -58.63 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.422 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 22.5 ttp180 -53.77 -53.21 55.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -53.23 -42.25 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -64.39 -59.79 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 18.6 m -55.61 -34.92 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -41.92 -53.81 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -72.1 -40.8 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -52.27 -44.74 65.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 525' ' ' ASP . 81.4 mm-40 -100.84 21.3 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 524' ' ' GLU . 43.5 m-20 34.81 43.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 530' ' ' TYR . 18.8 mm-40 -112.03 171.67 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 531' ' ' VAL . 30.1 p -92.62 163.72 13.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.92 -59.42 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.1 -57.13 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 526' ' ' GLU . 50.7 t80 -49.53 -63.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.477 ' HA ' HD12 ' A' ' 561' ' ' LEU . 97.9 t -49.96 -66.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 16.0 tp -158.08 110.14 1.74 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.7 Cg_endo -69.72 158.83 55.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -54.61 -51.53 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.6 p-80 -46.19 -49.82 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.682 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 47.3 tpp -64.75 -49.4 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.1 ttm -51.66 -48.44 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.98 -60.4 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -39.99 -45.2 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.7 -56.06 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -47.86 -35.74 10.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -80.71 -39.11 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' ' 577' ' ' ARG . 47.5 mt 58.56 54.66 5.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.604 0.716 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.707 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.8 Cg_endo -69.73 105.44 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -56.58 -30.05 62.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.439 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 5.6 mm-40 -99.02 159.37 30.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.62 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.73 -22.82 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.739 2.293 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.65 -31.03 36.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.3 mp -76.71 -20.6 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 558' ' ' VAL . 60.4 mt -90.86 -38.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 30.3 p -50.22 -28.85 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 558' ' ' VAL . 67.6 m -95.67 136.57 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 23.4 t-20 -162.42 105.02 1.09 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.4 Cg_endo -69.74 176.33 32.99 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.326 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 555' ' ' CYS . 83.9 t -101.78 123.86 42.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.486 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.1 Cg_endo -69.76 168.92 20.18 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -38.48 7.81 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 531' ' ' VAL . 65.1 mt -60.78 -67.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 559' ' ' PRO . 96.3 t -39.63 -37.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.17 -34.94 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' LEU . 9.5 tt0 -69.55 -54.61 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -93.17 23.96 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -55.0 -28.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.85 -47.33 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.39 -49.15 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.7 mtp -52.87 -52.09 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -53.1 -47.04 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.26 -45.2 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 513' ' ' LEU . 60.5 mt -57.32 -55.75 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.707 HG21 ' O ' ' A' ' 545' ' ' PRO . 38.8 mm -49.21 -38.48 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.78 -31.44 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.77 -23.41 60.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.43 -25.58 23.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.481 ' NE ' ' O ' ' A' ' 544' ' ' LEU . 5.5 mtt-85 -92.23 -40.52 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.2 -39.6 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.862 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.766 0.317 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -54.01 -45.77 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -54.46 -46.42 73.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 48.9 mt -57.86 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.42 HG21 ' HA ' ' A' ' 576' ' ' ALA . 54.9 m -50.73 -56.0 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.07 -51.18 64.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 74.6 t80 -50.05 -53.99 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -52.29 -53.29 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.417 ' HB3' HD22 ' A' ' 572' ' ' LEU . 37.0 mt -52.42 -53.86 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 514' ' ' PHE . 38.4 mt -54.28 -65.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 513' ' ' LEU . 26.6 t80 -34.35 -54.09 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.38 -62.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -43.96 -42.62 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.616 HH12 ' HB2' ' A' ' 521' ' ' ALA . 2.8 ttt-85 -57.01 -64.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -40.88 -50.05 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -50.83 -52.06 45.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 23.3 m -60.73 -36.18 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.616 ' HB2' HH12 ' A' ' 517' ' ' ARG . . . -68.53 -21.29 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.55 -31.04 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . 0.469 ' CG ' ' OE2' ' A' ' 524' ' ' GLU . 6.4 ptm180 -91.26 -38.09 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.469 ' OE2' ' CG ' ' A' ' 523' ' ' ARG . 0.2 OUTLIER -70.85 -35.57 72.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 12.1 t70 72.0 51.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 530' ' ' TYR . 22.6 mt-10 -129.63 174.14 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.1 p -64.88 168.32 6.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . 0.455 ' O ' ' NH2' ' A' ' 517' ' ' ARG . 11.1 m-85 -83.84 -22.28 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -97.24 33.57 5.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 561' ' ' LEU . 5.2 t80 -124.64 -67.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.707 HG13 HD13 ' A' ' 561' ' ' LEU . 45.4 t -47.23 -51.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.3 tp -156.51 105.01 2.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.9 Cg_endo -69.73 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.83 -49.67 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.54 ' CG ' ' N ' ' A' ' 536' ' ' MET . 14.6 p-80 -54.52 -48.43 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.54 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 34.9 ttm -63.75 -55.45 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 22.8 ttm -48.53 -58.91 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.0 mt -53.17 -56.86 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -39.36 -60.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.83 -57.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.88 -35.92 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -81.94 -39.83 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -55.32 -49.06 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 38.8 mt 62.67 49.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.81 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -50.09 -27.7 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 551' ' ' ILE . 12.3 mt-10 -103.4 160.0 27.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.3 Cg_endo -69.76 -27.68 26.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -55.82 -30.68 57.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.9 mp -73.54 -23.89 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.423 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -85.06 -33.17 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.9 m -67.27 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.8 p -60.32 115.08 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 4.7 t-20 -142.39 108.63 5.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 177.55 28.38 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.369 -0.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.443 HG13 ' SG ' ' A' ' 555' ' ' CYS . 46.2 t -93.34 124.84 56.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.46 56.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.68 8.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 531' ' ' VAL . 64.5 mt -100.34 -69.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.561 HG13 ' SD ' ' A' ' 569' ' ' MET . 78.4 t -39.67 -36.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.02 -37.07 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 561' ' ' LEU . 24.9 tt0 -71.81 -52.24 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -90.85 21.68 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.472 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.5 tp -53.39 -31.18 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.1 -48.88 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.86 -50.81 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.561 ' SD ' HG13 ' A' ' 562' ' ' VAL . 60.2 mtp -52.9 -47.99 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -55.07 -48.9 72.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 82.8 mt -52.53 -45.39 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 512' ' ' LEU . 47.5 mt -57.25 -49.54 75.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.47 -43.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -62.61 -39.17 92.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.55 -43.15 99.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -65.41 -35.61 81.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 13.8 mtp-105 -78.94 -31.84 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.85 -49.21 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.514 0.673 . . . . 0.0 110.87 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -57.22 -51.51 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -44.19 -45.89 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.5 mt -64.91 -53.48 45.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 25.3 m -45.28 -54.04 7.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.64 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -45.24 -41.31 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -65.81 -52.52 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 572' ' ' LEU . 46.8 mt -49.79 -48.95 50.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.97 -48.08 82.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -47.87 -64.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -47.58 -47.56 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -57.43 -50.14 73.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -48.28 -50.65 29.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -58.09 -47.83 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 520' ' ' THR . 2.9 tmmm? -49.17 -61.52 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.453 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.9 m -64.56 -37.67 88.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.19 -36.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.81 -54.77 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -49.68 -47.98 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.8 -34.33 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 70.0 42.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -128.79 166.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.6 t -62.17 132.58 53.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 529' ' ' GLY . 60.8 m-85 -43.08 -52.46 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.86 -51.84 2.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 561' ' ' LEU . 2.6 t80 -54.43 -55.61 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 88.2 t -47.72 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.433 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 11.9 tp -164.31 108.47 0.88 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.73 -173.06 0.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -74.23 -52.67 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 7.8 p80 -48.21 -50.76 28.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.66 -60.59 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 5.4 ttp -45.01 -37.79 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.41 -47.72 66.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -49.62 -46.22 49.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.46 ' CG1' ' SG ' ' A' ' 554' ' ' CYS . 11.0 mt -72.66 -53.09 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.33 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -83.94 -44.91 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.65 -53.57 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 26.9 mt 58.07 51.54 4.47 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.66 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.82 135.88 31.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 8.1 ptmm? -67.0 -42.31 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.409 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 2.9 mm-40 -91.4 160.61 36.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.78 -7.0 19.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.73 -50.5 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.43 -31.78 9.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -73.56 -29.92 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.418 ' CG2' HG21 ' A' ' 558' ' ' VAL . 54.9 mt -77.45 -33.86 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -69.81 -45.89 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.46 ' SG ' ' CG1' ' A' ' 540' ' ' ILE . 3.9 p -39.15 -30.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 558' ' ' VAL . 0.9 OUTLIER -103.86 155.22 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.1 t-20 -173.37 106.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.74 177.86 27.37 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.343 -0.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.639 HG22 ' SG ' ' A' ' 555' ' ' CYS . 92.5 t -100.61 124.01 43.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.25 38.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.3 9.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 530' ' ' TYR . 76.1 mt -93.36 -70.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.508 HG13 ' SD ' ' A' ' 569' ' ' MET . 94.3 t -40.59 -38.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -72.38 -46.1 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.49 -56.72 15.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -84.31 14.31 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.534 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.8 tp -47.5 -33.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.32 -52.36 58.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.18 -50.22 74.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.508 ' SD ' HG13 ' A' ' 562' ' ' VAL . 35.0 mtp -52.09 -55.09 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.6 t-160 -48.53 -49.38 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 92.7 mt -52.7 -47.0 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 512' ' ' LEU . 51.8 mt -55.58 -44.07 76.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 545' ' ' PRO . 30.3 mm -58.54 -47.23 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -60.85 -34.02 73.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.68 -47.28 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.5 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 578' ' ' GLU . 71.5 mtp180 -76.36 -41.11 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 577' ' ' ARG . 7.3 mt-10 -34.22 -53.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.539 0.685 . . . . 0.0 110.884 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.02 -67.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -41.22 -46.75 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.03 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.7 m -49.23 -46.71 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.663 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -69.23 -39.19 78.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 510' ' ' PHE . 3.6 t80 -55.63 -42.69 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -71.36 -43.66 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.3 -47.99 83.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.18 -55.57 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -44.73 -61.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -55.37 -51.08 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 7.2 t90 -50.48 -42.54 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.796 ' HE ' HD23 ' A' ' 532' ' ' LEU . 16.7 ttm180 -61.07 -62.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 518' ' ' ASP . 0.2 OUTLIER -40.15 -44.9 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.14 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 29.3 m -58.15 -29.1 65.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.78 -54.53 46.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -59.21 -47.72 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -57.8 -45.08 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -81.81 4.34 22.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.98 39.66 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.68 167.45 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.8 t -71.87 137.95 47.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -43.14 -55.82 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -60.8 -53.47 45.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 530' ' ' TYR . 6.0 t80 -40.09 -48.83 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 561' ' ' LEU . 98.2 t -54.23 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.796 HD23 ' HE ' ' A' ' 517' ' ' ARG . 12.4 tp -146.26 118.85 5.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 164.23 35.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 535' ' ' HIS . 73.3 m-20 -68.39 -66.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 9.0 p80 -35.36 -48.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.463 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.9 ttm -59.64 -60.52 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 50.5 ttp -42.98 -50.8 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.6 mt -51.95 -59.27 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -43.95 -41.94 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 554' ' ' CYS . 22.9 mt -70.66 -57.62 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.61 -27.56 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -89.0 -24.72 22.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -80.02 -42.45 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.545 ' HA ' HG23 ' A' ' 573' ' ' ILE . 60.8 mt 50.94 53.61 14.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.476 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.75 113.74 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -47.67 -52.38 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -81.13 155.62 72.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.663 0.744 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.54 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.2 Cg_endo -69.72 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.09 -39.91 75.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.26 -25.97 63.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.552 ' HB ' HD11 ' A' ' 566' ' ' ILE . 4.7 mp -80.68 -20.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.57 -31.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.91 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 540' ' ' ILE . 7.0 p -48.9 -34.05 11.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.7 p -97.17 142.34 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.4 p30 -164.42 107.51 0.87 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.79 176.98 30.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.331 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.515 HG13 ' SG ' ' A' ' 555' ' ' CYS . 37.2 t -97.1 126.87 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.68 48.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.47 12.08 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 531' ' ' VAL . 78.4 mt -94.87 -74.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 561' ' ' LEU . 71.7 t -36.77 -38.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -75.16 -42.13 56.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.5 tt0 -65.02 -50.96 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -97.97 22.5 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.552 HD11 ' HB ' ' A' ' 551' ' ' ILE . 5.3 tp -51.55 -40.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.423 ' N ' HG23 ' A' ' 566' ' ' ILE . 60.5 m-20 -54.38 -53.42 54.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.9 tp10 -56.77 -54.08 50.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 54.4 mtp -50.83 -51.24 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.45 -52.54 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.5 mt -49.09 -52.97 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 36.6 mt -50.06 -50.5 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.545 HG23 ' HA ' ' A' ' 544' ' ' LEU . 17.6 mm -51.72 -46.16 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.605 HE21 ' N ' ' A' ' 574' ' ' GLN . 2.8 mm-40 -66.1 -35.9 81.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.34 -22.21 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.663 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -92.16 -39.83 11.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -35.92 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -45.25 -50.61 11.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.0 ppp? . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.697 . . . . 0.0 110.923 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -53.65 -53.12 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -50.21 -53.1 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 32.6 mt -55.12 -52.97 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.457 HG21 ' SD ' ' A' ' 579' ' ' MET . 95.1 m -51.35 -47.92 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.37 -57.77 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 48.3 t80 -43.13 -43.96 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.17 -57.34 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 55.1 mt -41.4 -48.41 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.58 -58.4 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -37.44 -61.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -52.15 -55.23 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -49.38 -47.32 47.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 14.5 ttt-85 -52.69 -51.38 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -64.07 -44.63 91.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.5 OUTLIER -52.65 -51.84 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 92.5 m -75.53 -33.5 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.42 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -54.63 -51.92 63.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.79 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -72.35 -28.18 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 66.06 48.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -132.51 173.89 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -63.3 128.74 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . 0.43 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 55.0 m-85 -43.41 -51.11 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -54.87 -48.66 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -43.95 -47.31 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 63.8 t -53.14 -65.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.19 119.89 2.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.577 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.3 Cg_endo -69.82 176.66 6.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -72.57 -55.46 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.577 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 13.3 p80 -46.27 -50.3 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 555' ' ' CYS . 42.0 tpp -61.13 -57.94 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttm -45.5 -50.99 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -58.46 -56.4 22.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 554' ' ' CYS . 1.7 tmtp? -44.72 -39.44 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.03 -57.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -43.48 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.45 -38.27 68.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -62.05 -51.91 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 58.8 mt 60.32 52.58 3.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.77 114.52 3.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.479 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 16.2 ptmt -56.18 -33.86 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -95.71 159.32 32.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.677 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -22.08 32.7 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.405 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -61.59 -42.4 98.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -56.56 -25.74 50.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -81.42 -19.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 558' ' ' VAL . 63.8 mt -90.88 -37.77 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 539' ' ' LYS . 30.3 p -46.55 -34.97 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 16.4 m -87.57 109.38 19.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 557' ' ' PRO . 37.8 t30 -135.58 102.7 10.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 555' ' ' CYS . 53.6 Cg_endo -69.74 -168.48 4.42 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.316 -0.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 552' ' ' ILE . 89.5 t -107.77 125.78 31.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.41 42.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.57 36.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.56 -70.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.564 HG13 ' SD ' ' A' ' 569' ' ' MET . 97.8 t -37.52 -44.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 566' ' ' ILE . 6.4 tpt180 -69.38 -43.65 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -62.45 -56.09 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.02 22.23 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.523 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.7 tp -52.7 -34.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.95 -50.31 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.58 -51.49 69.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.564 ' SD ' HG13 ' A' ' 562' ' ' VAL . 43.2 mtp -51.2 -51.97 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -52.03 -51.08 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 76.5 mt -50.15 -47.12 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.12 -52.73 62.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 45.9 mm -53.37 -37.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.1 mm-40 -72.62 -34.98 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -66.83 -28.77 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -89.77 -36.54 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -75.18 -34.12 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.02 -38.13 87.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . 0.457 ' SD ' HG21 ' A' ' 508' ' ' THR . 17.9 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.508 HG22 ' CE ' ' A' ' 579' ' ' MET . 88.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -50.91 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -39.03 -60.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 39.1 mt -51.72 -40.99 61.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 39.4 m -57.7 -51.94 67.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -61.59 -41.12 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -54.64 -56.11 22.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.31 -48.74 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 572' ' ' LEU . 64.1 mt -51.97 -45.63 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.461 HD13 ' HG3' ' A' ' 537' ' ' MET . 47.3 mt -57.96 -51.41 69.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -48.48 -59.59 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.53 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -63.62 -39.49 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 521' ' ' ALA . 28.9 ttp85 -55.69 -41.29 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.01 -51.72 23.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.1 tmmm? -42.31 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.458 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.2 m -69.76 -40.52 76.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -42.96 -41.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.066 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 522' ' ' ARG . 12.4 mtp-105 -74.18 -45.94 45.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -55.21 -39.72 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -90.18 -6.12 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 40.4 53.97 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -131.0 175.86 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.7 m -64.8 128.85 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -46.03 -46.96 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.95 -59.46 9.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -40.13 -48.45 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.965 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 92.6 t -52.66 -64.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.7 tp -155.56 116.17 2.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.5 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -74.51 -48.76 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 16.3 p80 -52.75 -49.93 64.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 28.9 tpp -66.21 -53.39 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . 0.479 ' HA ' HD21 ' A' ' 532' ' ' LEU . 17.9 ttp -47.61 -57.32 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 539' ' ' LYS . 21.4 mt -56.53 -58.57 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 538' ' ' LEU . 31.3 tttp -36.75 -46.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.49 -54.37 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -52.07 -27.44 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -87.87 -40.23 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.14 -32.02 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.5 mt 48.02 52.92 13.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.8 Cg_endo -69.71 91.99 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -44.81 -28.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 18.9 mt-10 -97.9 156.82 35.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.642 ' HA ' HD13 ' A' ' 551' ' ' ILE . 52.8 Cg_endo -69.8 -23.03 31.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -63.87 -45.69 88.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.48 -31.99 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.4 mp -76.46 -20.47 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.601 HD11 HG12 ' A' ' 566' ' ' ILE . 42.2 mt -91.11 -37.07 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.06 -34.74 71.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 20.2 p -51.74 -35.36 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.03 149.76 21.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -168.72 109.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.75 174.69 39.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.33 127.21 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.78 48.44 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.0 mt -90.63 -68.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 561' ' ' LEU . 72.9 t -36.61 -47.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -43.83 82.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 561' ' ' LEU . 0.6 OUTLIER -62.11 -56.54 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.26 16.81 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 552' ' ' ILE . 4.3 tp -48.49 -34.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.98 -49.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.63 -50.88 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 37.1 mtp -51.27 -55.39 18.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -49.38 -47.77 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 71.8 mt -53.16 -46.48 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 512' ' ' LEU . 48.7 mt -55.96 -57.72 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 37.1 mm -47.36 -39.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.27 -33.31 74.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.78 -26.11 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -87.33 -21.72 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -92.77 -40.87 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.57 -34.99 8.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . 0.508 ' CE ' HG22 ' A' ' 504' ' ' THR . 17.7 ptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.714 0.292 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -54.98 -45.41 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.84 -49.24 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.03 -48.11 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.44 HG21 ' SD ' ' A' ' 579' ' ' MET . 90.1 m -48.94 -52.99 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.44 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.76 -43.58 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -61.98 -54.75 37.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.33 -52.93 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.65 -52.56 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -41.99 -53.19 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.95 91.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -51.96 -55.01 22.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.489 ' HG3' ' CG1' ' A' ' 531' ' ' VAL . 27.9 ttp180 -56.32 -45.35 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -44.32 80.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 519' ' ' LYS . 1.7 ttpm? -65.55 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 57.4 m -50.95 -42.21 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -45.29 -41.31 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.93 -48.36 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -54.61 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.93 -33.67 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 3.7 t70 73.45 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . 0.583 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -117.22 162.29 18.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.4 m -58.86 137.1 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -48.95 -52.46 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.46 -45.12 37.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 75.2 t80 -55.5 -56.45 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.919 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 517' ' ' ARG . 61.4 t -47.69 -61.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.7 tp -162.78 118.9 1.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.74 171.93 13.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -71.24 -50.27 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.694 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.9 p-80 -51.5 -50.68 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.694 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 30.4 tpp -60.66 -50.06 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 27.7 ttp -50.79 -43.8 58.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.27 -61.58 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -40.15 -46.12 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.43 -54.99 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.47 -40.67 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.62 -53.1 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 50.7 mt 61.62 53.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.622 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.83 124.68 11.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.98 64.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -103.96 157.11 34.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.753 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.79 -1.79 9.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -78.44 -51.86 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.68 -35.58 16.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -69.53 -25.09 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -89.39 -31.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.72 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 28.4 p -42.6 -37.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.656 ' HA ' ' HE3' ' A' ' 536' ' ' MET . 89.1 m -90.29 131.1 36.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.1 p-10 -162.56 105.0 1.07 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.76 170.4 58.66 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.308 -0.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 555' ' ' CYS . 73.6 t -97.09 128.02 36.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.675 0.75 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.501 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.76 164.93 32.7 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.6 mt -96.84 -70.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.501 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.2 t -36.56 -39.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 566' ' ' ILE . 7.9 tpt180 -78.0 -46.24 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.52 -57.53 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.92 21.09 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.0 tp -51.0 -46.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.521 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.3 m120 -48.14 -50.52 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.22 -54.64 44.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.8 mtp -49.29 -52.02 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.12 -53.75 25.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 87.7 mt -49.3 -44.37 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 64.9 mt -56.46 -50.66 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.622 HG21 ' O ' ' A' ' 545' ' ' PRO . 23.6 mm -53.88 -39.44 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.72 -33.66 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.04 -35.7 81.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -81.87 -36.63 28.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -74.99 -30.69 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -42.15 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 508' ' ' THR . 19.3 ptm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.404 ' CG2' ' HE1' ' A' ' 579' ' ' MET . 91.1 m . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.743 0.306 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.46 -60.4 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -41.52 -42.31 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.22 -53.37 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.42 ' HB ' ' HB1' ' A' ' 576' ' ' ALA . 13.4 m -46.92 -45.87 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.79 -48.04 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.6 -44.56 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -65.45 -52.57 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 81.8 mt -48.05 -48.76 33.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.54 -46.05 91.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -49.06 -48.05 44.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -53.27 -42.18 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -58.08 -59.08 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -54.06 -48.83 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -57.45 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 m -51.15 -39.06 55.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.11 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.63 -58.8 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -52.26 -39.5 60.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -76.89 -25.74 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 61.26 45.53 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.14 173.16 11.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.5 t -59.85 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -49.97 -49.38 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.46 -53.24 42.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -41.14 -57.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.697 ' HA ' HD12 ' A' ' 561' ' ' LEU . 80.1 t -41.24 -60.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.8 tp -163.7 119.14 1.12 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.487 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 176.24 7.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -73.84 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.487 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 12.6 p80 -38.33 -49.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.42 -59.5 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 10.1 ttp -38.56 -57.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.6 mt -57.89 -50.34 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 554' ' ' CYS . 35.9 tttm -43.94 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.85 -58.57 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.85 -39.32 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -71.97 -45.6 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.46 -46.65 73.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 40.6 mt 62.8 55.01 2.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.8 123.41 10.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.3 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.485 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 19.1 ptmt -69.51 -41.7 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.3 161.85 29.74 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -78.31 -43.96 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -53.75 -32.79 48.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -71.2 -33.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.685 ' CG2' HG21 ' A' ' 558' ' ' VAL . 49.8 mt -77.26 -38.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.34 51.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 539' ' ' LYS . 2.3 m -60.42 -65.61 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.509 ' HB2' HG22 ' A' ' 558' ' ' VAL . 41.2 m -62.08 126.55 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.2 p30 -155.09 105.11 2.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.78 171.33 54.28 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.344 -0.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.685 HG21 ' CG2' ' A' ' 552' ' ' ILE . 88.2 t -95.32 135.15 23.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.532 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.4 Cg_endo -69.69 162.85 40.45 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.3 20.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 531' ' ' VAL . 73.4 mt -95.9 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 569' ' ' MET . 87.2 t -39.67 -35.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -77.45 -44.65 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.37 28.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.7 tp -55.21 -40.44 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -55.61 -46.11 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.09 -49.64 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.5 mtp -53.73 -49.75 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 2.9 t-160 -54.88 -43.52 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.81 -47.37 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.5 mt -54.25 -55.42 28.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.24 -47.5 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.5 mm-40 -57.53 -38.78 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.42 ' HB1' ' HB ' ' A' ' 508' ' ' THR . . . -63.2 -42.12 99.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 578' ' ' GLU . 54.4 mtp180 -69.59 -41.56 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 577' ' ' ARG . 36.8 mm-40 -36.73 -48.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . 0.404 ' HE1' ' CG2' ' A' ' 504' ' ' THR . 8.2 ptm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.13 -62.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -38.4 -58.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.46 -54.15 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 22.9 m -46.05 -47.63 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.14 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.52 -45.13 81.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -62.38 -48.38 80.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.9 -54.97 35.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 68.6 mt -51.42 -49.66 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -50.95 -59.5 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.73 -52.46 23.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -56.11 -43.62 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -52.38 -47.82 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.06 -44.79 95.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -63.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.774 HG23 ' OE2' ' A' ' 524' ' ' GLU . 98.8 m -53.04 -34.29 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.54 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -71.56 -40.17 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.93 -40.13 32.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.774 ' OE2' HG23 ' A' ' 520' ' ' THR . 0.1 OUTLIER -71.19 -33.39 69.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.73 38.49 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -119.38 176.39 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.1 m -61.93 134.01 56.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -52.15 -59.76 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -50.52 -46.89 45.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -45.71 -43.21 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 561' ' ' LEU . 96.3 t -57.59 -66.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 22.4 tp -152.52 117.07 2.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.496 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.75 175.06 8.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -72.71 -58.15 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.496 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 9.4 p80 -43.94 -45.25 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.49 -53.19 20.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.1 ttm -47.89 -45.24 30.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.37 -55.09 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -40.71 -51.41 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.584 HD11 ' SG ' ' A' ' 554' ' ' CYS . 41.6 mt -67.17 -54.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -46.96 -38.77 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -79.19 -40.39 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -58.97 -50.33 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.1 mt 59.1 52.11 3.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.674 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.9 Cg_endo -69.71 128.01 15.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -67.29 -46.45 73.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -84.56 160.52 56.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.531 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -13.27 34.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -69.55 -45.74 68.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -53.98 -20.35 13.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.0 mp -88.31 -24.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.623 HG23 HG21 ' A' ' 558' ' ' VAL . 41.1 mt -85.77 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.12 91.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -44.4 -38.14 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.2 p -102.76 140.39 37.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 0.3 OUTLIER -163.39 109.42 0.99 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 110.886 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.79 172.49 48.87 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 552' ' ' ILE . 54.7 t -95.94 135.88 22.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 558' ' ' VAL . 54.3 Cg_endo -69.73 162.76 40.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -4.24 13.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 531' ' ' VAL . 81.9 mt -99.47 -68.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.91 -36.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -77.45 -41.64 38.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.97 -54.06 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -93.6 22.34 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.437 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.9 tp -50.4 -40.61 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 566' ' ' ILE . 32.1 m120 -55.26 -51.38 66.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.04 -51.05 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.0 mtp -51.55 -50.17 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.85 -47.31 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.71 -46.85 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.4 -53.36 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.674 HG21 ' O ' ' A' ' 545' ' ' PRO . 43.8 mm -50.59 -41.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.07 -28.13 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.93 -27.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -85.78 -43.34 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -43.5 -38.89 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.3 ppp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.761 0.315 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.23 -49.83 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -49.37 -51.7 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.61 -50.38 70.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 16.9 m -49.45 -42.33 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.45 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.69 -43.72 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -62.86 -49.15 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.9 mt -56.83 -52.19 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.25 -59.15 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 6.3 t80 -39.46 -49.83 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 49.8 t90 -58.27 -60.23 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -44.73 -50.53 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 521' ' ' ALA . 23.4 t0 -60.4 -38.21 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -61.92 -57.6 11.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 524' ' ' GLU . 24.4 m -59.46 -31.5 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -44.48 -48.22 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.0 -63.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -40.75 -44.67 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.407 ' HG2' HG22 ' A' ' 520' ' ' THR . 69.8 mm-40 -78.32 -34.38 48.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 17.7 t0 69.85 43.46 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -127.82 169.18 14.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.9 t -64.81 139.57 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -43.19 -45.11 5.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -51.42 -69.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 529' ' ' GLY . 15.7 t80 -34.41 -58.62 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 58.4 t -44.93 -61.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 533' ' ' PRO . 25.1 tp -160.68 119.2 1.52 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.81 167.24 25.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -69.86 -59.98 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 536' ' ' MET . 12.1 p-80 -41.75 -47.12 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 38.2 ttm -63.89 -54.21 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 22.9 ttp -48.4 -58.22 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 21.9 mt -50.54 -57.5 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -42.88 -46.35 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 74.0 mt -69.03 -53.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.58 -36.22 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.55 -44.02 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -56.05 -48.37 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.468 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.2 mt 62.98 52.65 1.66 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.549 0.69 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.13 -29.29 30.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.46 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 6.3 mt-10 -97.63 157.84 34.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.77 -20.84 34.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -64.33 -48.31 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.08 23.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -75.54 -21.41 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 558' ' ' VAL . 59.8 mt -90.09 -37.47 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.23 81.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 22.5 p -45.05 -36.63 3.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.5 p -102.13 133.28 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.4 t30 -157.5 110.74 1.84 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 172.44 48.82 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.352 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 552' ' ' ILE . 50.9 t -95.89 134.95 23.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.74 160.11 50.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.37 11.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 96.7 mt -96.32 -74.33 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.701 HG13 ' SD ' ' A' ' 569' ' ' MET . 80.4 t -37.78 -38.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.477 ' NH1' HG21 ' A' ' 552' ' ' ILE . 12.3 tpt180 -72.56 -42.42 64.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 561' ' ' LEU . 11.9 tt0 -65.75 -48.96 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -99.62 24.54 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.25 -34.81 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -60.62 -48.72 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.549 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.3 tp10 -60.63 -51.44 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.701 ' SD ' HG13 ' A' ' 562' ' ' VAL . 45.9 mtp -51.94 -53.18 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.1 t-160 -51.27 -48.56 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.72 -45.18 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.38 -47.97 80.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.466 HG21 ' O ' ' A' ' 545' ' ' PRO . 48.2 mm -55.3 -40.23 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.86 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -68.17 -42.06 80.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -71.13 -40.2 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -39.86 -50.82 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 13.5 ptm . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.09 -58.02 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.11 -46.95 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.488 HG21 ' HA ' ' A' ' 576' ' ' ALA . 90.7 m -52.84 -49.17 66.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.23 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.19 -46.47 72.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.95 -50.84 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 42.3 mt -50.99 -51.24 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.77 -54.03 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.5 -60.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.37 64.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -54.9 -54.5 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.75 -50.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -57.99 -43.36 86.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -63.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 521' ' ' ALA . 57.7 m -56.21 -46.62 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -34.31 -53.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -58.72 -60.23 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 25.2 mmm-85 -46.36 -44.92 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.2 -28.14 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.78 41.76 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 3.6 tp10 -128.59 162.42 27.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 13.1 t -63.35 140.6 58.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -48.87 -58.24 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -39.29 -42.55 1.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.563 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 66.5 t80 -66.41 -49.36 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 93.0 t -58.46 -64.76 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.2 tp -158.95 105.01 1.57 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.732 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.2 Cg_endo -69.75 173.71 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 535' ' ' HIS . 0.1 OUTLIER -62.86 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.645 ' CG ' ' N ' ' A' ' 536' ' ' MET . 8.8 p-80 -36.08 -54.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.645 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 33.8 ttm -57.33 -61.08 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.5 ttp -43.5 -50.91 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 31.9 mt -58.9 -56.71 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -39.7 -57.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.21 -57.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.443 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.19 -40.37 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.88 -40.83 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.0 -47.31 81.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.5 mt 58.1 51.34 4.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.626 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 114.71 3.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 17.6 ptmt -55.86 -41.13 73.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -93.23 161.36 31.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.751 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.522 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.69 -22.59 32.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -66.76 -37.57 84.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.19 -31.36 73.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 4.4 mp -74.46 -33.73 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.579 ' CG2' HG21 ' A' ' 558' ' ' VAL . 47.2 mt -75.45 -36.2 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.48 -60.34 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.478 ' HB2' HG22 ' A' ' 558' ' ' VAL . 33.2 m -62.66 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 19.0 t-20 -154.53 104.97 2.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.75 171.6 52.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.367 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.579 HG21 ' CG2' ' A' ' 552' ' ' ILE . 83.6 t -96.07 125.65 47.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.46 38.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -7.86 22.11 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.708 2.272 . . . . 0.0 112.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 92.2 mt -88.74 -73.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 569' ' ' MET . 88.8 t -39.29 -39.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.14 -42.67 62.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.87 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -84.54 24.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.1 tp -55.38 -47.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.529 ' N ' HG23 ' A' ' 566' ' ' ILE . 45.6 m-80 -46.06 -47.67 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.2 -52.5 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 562' ' ' VAL . 55.6 mtp -51.77 -50.68 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.6 t-160 -52.82 -49.08 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.0 mt -51.85 -47.72 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.69 -46.79 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.626 HG21 ' O ' ' A' ' 545' ' ' PRO . 22.1 mm -57.2 -41.38 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 6.3 mm-40 -66.67 -34.28 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -66.25 -42.3 88.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.488 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -63.85 -45.02 91.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 15.0 mtp-105 -71.12 -42.89 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -38.48 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 10.1 ptm . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.817 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 55.9 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.742 0.306 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -56.88 -49.39 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -50.92 -40.81 57.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.04 -52.37 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 55.8 m -49.66 -46.42 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -68.25 -46.07 71.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -48.45 -40.49 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.73 -47.14 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.92 -44.52 78.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.96 -53.33 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 4.9 t80 -45.59 -49.75 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.39 -58.83 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -49.37 -55.79 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -44.59 -54.45 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.6 -26.68 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -66.22 -49.63 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 96.9 m -67.13 -35.25 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -39.3 -40.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -54.75 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -55.93 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.457 ' OE1' HD21 ' A' ' 561' ' ' LEU . 5.3 mm-40 -71.58 -27.83 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 524' ' ' GLU . 0.4 OUTLIER 48.05 50.8 15.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 524' ' ' GLU . 2.0 mp0 -146.56 172.68 13.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.5 m -59.11 137.76 57.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 529' ' ' GLY . 25.9 m-85 -48.0 -57.18 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.69 -55.13 1.76 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.05 -45.28 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.6 -64.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.5 tp -159.53 122.72 1.98 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.8 Cg_endo -69.71 168.58 21.07 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -69.79 -62.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 536' ' ' MET . 11.0 p-80 -40.31 -52.14 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.585 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 18.7 ttm -60.52 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 536' ' ' MET . 41.5 ttp -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.51 -51.23 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -41.18 -43.24 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.527 HD11 ' SG ' ' A' ' 554' ' ' CYS . 21.9 mt -73.41 -47.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -56.12 -31.96 63.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.65 -45.88 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.07 -43.94 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.452 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.8 mt 56.76 53.31 6.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 54.0 Cg_endo -69.72 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.459 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 6.9 ptpp? -52.56 -51.95 57.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.6 mm-40 -78.75 159.76 73.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.685 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -19.59 35.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.89 -46.66 88.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.83 -21.18 22.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -85.22 -24.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 55.6 mt -85.62 -51.14 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.98 -27.71 53.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 540' ' ' ILE . 3.1 p -51.72 -32.79 31.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.637 ' HB3' HG22 ' A' ' 558' ' ' VAL . 6.1 t -107.39 152.94 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.3 t30 -168.35 108.42 0.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 110.91 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.78 174.68 39.64 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.343 -0.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 555' ' ' CYS . 90.5 t -109.5 127.05 27.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.78 27.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.457 HD21 ' OE1' ' A' ' 524' ' ' GLU . 59.1 mt -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.28 -34.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 566' ' ' ILE . 11.8 tpt180 -83.39 -46.6 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.96 -54.22 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.09 14.3 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.563 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.6 tp -49.03 -40.92 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 566' ' ' ILE . 11.7 m120 -54.14 -49.94 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 571' ' ' LEU . 5.1 tp10 -58.59 -53.34 59.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 45.1 mtp -50.08 -52.62 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -50.9 -49.74 58.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 568' ' ' GLU . 57.2 mt -51.33 -49.52 61.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 35.6 mt -52.5 -56.28 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.6 mm -48.9 -42.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 11.7 mm-40 -68.59 -30.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.13 -26.58 62.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 11.6 mtp-105 -84.42 -38.54 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 577' ' ' ARG . 8.0 pt-20 -36.91 -40.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.4 ppp? . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.604 0.716 . . . . 0.0 110.849 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.743 0.306 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -51.72 -59.03 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -43.5 -49.5 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.39 -50.07 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.8 m -55.21 -53.97 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.95 -43.97 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -52.4 -53.03 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.46 -53.28 56.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.86 -47.94 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 514' ' ' PHE . 89.5 mt -59.88 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 513' ' ' LEU . 8.5 t80 -34.78 -61.35 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.64 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.62 -51.54 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -47.34 -51.42 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.23 -46.59 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 1.0 OUTLIER -50.42 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 79.5 m -59.05 -40.59 85.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.13 -43.55 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 522' ' ' ARG . 4.3 tmt_? -68.81 -54.31 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -49.87 -43.74 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.11 -34.33 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 8.2 t0 70.92 42.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -126.56 170.45 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 97.4 p -59.12 133.92 56.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -53.27 -42.62 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.26 55.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -48.35 -57.79 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 561' ' ' LEU . 98.2 t -43.41 -62.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.2 tp -159.57 118.77 1.67 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.7 173.41 10.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.759 2.306 . . . . 0.0 112.341 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 533' ' ' PRO . 5.1 p80 -40.09 -54.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.435 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 43.9 ttm -57.67 -58.52 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 536' ' ' MET . 13.5 ttp -36.76 -51.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.58 -57.54 11.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -37.84 -42.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.434 HD11 ' SG ' ' A' ' 554' ' ' CYS . 67.9 mt -70.98 -56.27 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -49.95 -36.74 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -74.7 -38.96 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.6 -45.6 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.457 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.9 mt 55.18 52.9 8.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.8 Cg_endo -69.71 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -47.57 -31.2 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.5 mt-10 -95.99 157.8 35.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.779 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.73 -26.78 27.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.87 -43.39 94.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -55.16 -23.17 31.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -82.92 -21.41 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.98 -46.81 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.55 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 540' ' ' ILE . 11.9 p -52.08 -41.57 62.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.991 ' HB3' HG22 ' A' ' 558' ' ' VAL . 3.7 t -94.06 147.63 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 16.1 p30 -166.69 104.99 0.66 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.5 Cg_endo -69.79 176.87 30.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.329 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 555' ' ' CYS . 91.9 t -112.18 128.91 24.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.2 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.9 30.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 531' ' ' VAL . 96.3 mt -70.63 -63.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.5 t -44.98 -37.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 566' ' ' ILE . 21.9 tpt85 -81.74 -41.26 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -59.47 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -92.86 23.77 4.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.8 tp -53.37 -41.18 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 566' ' ' ILE . 10.7 m-20 -53.93 -50.28 66.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.68 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.1 mtp -50.45 -52.45 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.6 t-160 -49.87 -50.58 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.42 -44.83 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.6 -47.53 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 544' ' ' LEU . 50.3 mm -55.15 -46.26 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.88 -42.16 97.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.24 -46.11 79.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -60.78 -31.36 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -81.97 -30.62 31.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -46.09 -46.53 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.861 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.704 0.287 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -57.91 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -42.01 -47.05 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.66 -58.93 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 89.9 m -45.96 -52.23 12.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -58.85 -45.09 90.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.89 -47.75 76.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.62 -44.44 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 572' ' ' LEU . 32.8 mt -60.39 -50.69 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.75 -45.77 85.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -51.41 -61.22 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.84 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -49.53 -50.15 43.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -50.32 -51.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.51 -48.53 81.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -59.99 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 91.0 m -56.94 -56.61 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.01 -28.74 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -76.15 -33.16 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -81.39 -46.18 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -27.59 63.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 64.92 45.15 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.75 178.84 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.3 t -59.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.59 -58.53 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -51.73 -42.24 52.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -46.84 -45.69 20.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.41 . . . . 0.0 110.927 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 561' ' ' LEU . 99.0 t -62.61 -64.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 12.8 tp -155.51 105.02 2.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 535' ' ' HIS . 53.7 Cg_endo -69.76 157.65 59.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -51.11 -54.11 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.637 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.3 p-80 -43.58 -53.78 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.637 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 35.3 tpp -64.2 -59.53 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 11.6 ttp -39.18 -48.4 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.68 -53.6 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -49.85 -43.25 48.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 36.0 mt -70.63 -58.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -45.14 28.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -69.12 -44.61 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.02 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.515 ' HA ' HG23 ' A' ' 573' ' ' ILE . 65.9 mt 62.63 54.05 2.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.76 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 0.0 OUTLIER -54.19 -35.0 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 10.9 mt-10 -95.77 161.14 28.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.411 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.8 Cg_endo -69.74 -27.29 26.74 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -56.62 -44.88 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -52.27 -36.01 44.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 5.0 mp -76.22 -23.35 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.448 ' CG2' HG21 ' A' ' 558' ' ' VAL . 51.8 mt -83.94 -41.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.94 68.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 15.2 p -41.25 -35.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.529 ' HB2' HG22 ' A' ' 558' ' ' VAL . 59.9 m -93.19 134.81 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 28.5 t-20 -162.74 104.97 1.05 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.8 172.17 50.41 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 -0.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 555' ' ' CYS . 84.7 t -98.15 126.4 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.02 28.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -4.4 13.91 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 564' ' ' GLN . 42.4 mt -93.02 -75.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 84.8 t -36.29 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -76.52 -41.28 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.3 tt0 -68.13 -54.73 15.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -85.8 18.31 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.418 HG12 HD11 ' A' ' 552' ' ' ILE . 4.4 tp -50.61 -38.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 566' ' ' ILE . 13.0 m120 -58.65 -49.51 77.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.8 -52.95 62.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.418 ' HE1' HD22 ' A' ' 532' ' ' LEU . 36.9 mmm -50.39 -57.52 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.3 t-160 -48.46 -46.08 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 512' ' ' LEU . 42.4 mt -52.72 -48.44 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 544' ' ' LEU . 47.9 mm -55.99 -41.49 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.0 mm-40 -67.17 -29.02 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.26 -37.31 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -85.85 -21.34 28.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -88.15 -42.03 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.78 -42.6 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.727 0.299 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -52.87 -57.9 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -41.17 -57.37 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 508' ' ' THR . 29.8 mt -49.36 -63.92 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.449 HG21 ' HA ' ' A' ' 576' ' ' ALA . 60.2 m -36.39 -45.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -70.53 -44.39 67.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.17 -49.19 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.04 -44.8 96.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.16 -46.85 82.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.89 -50.41 56.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 3.9 t80 -44.53 -51.92 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.76 75.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.07 -54.5 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 20.1 ttp180 -52.42 -56.31 15.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.59 -32.64 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -70.18 -60.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 45.9 m -55.79 -34.42 65.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -40.7 -43.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 522' ' ' ARG . 5.8 mmm180 -69.67 -53.6 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.14 -51.98 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.76 -28.67 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.3 46.06 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -126.0 167.27 15.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 47.6 m -60.68 135.47 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . 0.413 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 33.1 m-85 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -47.28 -56.25 8.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -44.54 -44.5 8.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.461 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 74.9 t -58.99 -62.66 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 536' ' ' MET . 18.6 tp -157.86 118.44 1.95 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.76 175.05 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -73.6 -64.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 536' ' ' MET . 9.1 p-80 -38.71 -43.27 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 555' ' ' CYS . 38.3 ttm -68.3 -57.57 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 23.0 ttp -49.06 -55.48 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.65 -53.56 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -43.49 -49.41 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.434 HD13 HG23 ' A' ' 551' ' ' ILE . 93.9 mt -67.77 -58.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.93 -35.18 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -85.25 -35.38 21.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.52 -48.5 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 46.8 mt 63.61 51.82 1.35 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 574' ' ' GLN . 0.2 OUTLIER -41.81 -29.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 40.8 mt-10 -97.46 154.64 37.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.725 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -19.39 36.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -67.39 -46.05 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.53 -26.75 24.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -80.91 -21.38 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 HG12 ' A' ' 566' ' ' ILE . 58.9 mt -92.83 -35.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 540' ' ' ILE . 31.7 p -50.01 -29.74 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.493 ' HB3' ' CE ' ' A' ' 536' ' ' MET . 1.3 p -103.21 139.46 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.3 t-20 -157.07 107.82 1.91 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.72 -179.19 18.42 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 -0.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 559' ' ' PRO . 58.6 t -98.95 133.49 22.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.447 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.78 156.62 62.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.01 11.15 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 564' ' ' GLN . 89.7 mt -98.9 -71.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.417 HG13 ' SD ' ' A' ' 569' ' ' MET . 69.5 t -37.77 -36.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -74.57 -40.79 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 561' ' ' LEU . 6.5 mt-30 -69.98 -53.93 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.85 22.08 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.602 HG12 HD11 ' A' ' 552' ' ' ILE . 6.1 tp -54.05 -39.33 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . 0.425 ' N ' HG23 ' A' ' 566' ' ' ILE . 15.2 m120 -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.45 -55.72 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.417 ' SD ' HG13 ' A' ' 562' ' ' VAL . 39.3 mtp -48.75 -53.32 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -50.95 -49.71 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.19 -44.41 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.98 -53.2 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 46.3 mm -50.97 -38.77 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.6 mm-40 -69.81 -33.23 72.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.74 -24.92 61.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -86.6 -27.76 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 578' ' ' GLU . 44.8 mtp85 -86.65 -42.25 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 577' ' ' ARG . 11.2 pt-20 -36.76 -42.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 52.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.705 0.288 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -55.62 -59.85 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -42.18 -58.71 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.73 -44.85 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.485 HG21 ' SD ' ' A' ' 579' ' ' MET . 24.0 m -53.62 -47.89 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.59 90.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -52.58 -44.99 66.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -64.05 -50.86 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 576' ' ' ALA . 45.5 mt -54.26 -46.97 72.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 541' ' ' ALA . 83.9 mt -60.8 -48.54 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -47.65 -60.44 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.28 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . 0.514 ' CZ3' ' SD ' ' A' ' 569' ' ' MET . 39.9 t90 -58.9 -41.75 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 34.1 ttt180 -54.28 -54.61 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.38 -38.44 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.3 tmmm? -58.02 -52.47 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.463 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.3 m -74.25 -21.28 59.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -76.55 -42.71 41.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -70.78 -34.17 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -75.76 -47.09 27.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 524' ' ' GLU . 0.0 OUTLIER -79.52 -7.85 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 41.64 52.49 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.83 171.26 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -59.96 131.47 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.6 49.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.28 -42.15 81.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.97 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.456 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 22.3 tp -141.21 108.88 6.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.96 61.6 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 535' ' ' HIS . 54.5 t30 -47.73 -61.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.6 p-80 -37.22 -52.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.612 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 26.2 tpp -65.98 -52.83 46.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . 0.454 ' HG3' HD13 ' A' ' 513' ' ' LEU . 20.3 ttp -48.61 -61.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 32.0 mt -49.0 -56.85 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -43.64 -43.64 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.876 HD11 ' SG ' ' A' ' 554' ' ' CYS . 70.5 mt -71.31 -58.63 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.544 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -48.58 -30.02 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.7 -34.51 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.36 -52.68 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.739 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.0 mt 61.55 53.0 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 4.2 ptmm? -38.41 -54.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -81.05 156.09 72.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.526 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.83 -42.17 95.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -58.17 -29.11 62.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -78.18 -22.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 21.8 mt -86.22 -40.5 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -43.71 -31.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.86 145.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.8 m120 -165.56 108.04 0.76 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.8 Cg_endo -69.72 175.33 36.86 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.371 -0.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 559' ' ' PRO . 48.2 t -96.93 133.45 24.25 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.7 Cg_endo -69.74 158.6 56.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.18 15.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' GLN . 96.0 mt -96.61 -73.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -37.99 -35.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.8 tpt85 -73.67 -43.11 60.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 561' ' ' LEU . 29.9 tt0 -70.44 -54.37 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.08 21.44 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 551' ' ' ILE . 7.5 tp -54.81 -40.18 51.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -53.68 -45.6 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -63.97 -54.6 31.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . 0.514 ' SD ' ' CZ3' ' A' ' 516' ' ' TRP . 64.7 mmm -50.53 -50.68 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.8 t-160 -52.03 -53.31 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.95 -49.53 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.82 -54.88 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 544' ' ' LEU . 16.1 mm -46.55 -46.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.723 HE21 ' N ' ' A' ' 574' ' ' GLN . 1.3 mm-40 -63.73 -36.63 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 578' ' ' GLU . 20.0 mt-30 -70.18 -21.41 63.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.425 ' HB2' HD12 ' A' ' 512' ' ' LEU . . . -93.31 -35.39 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -40.09 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 579' ' ' MET . 16.2 pt-20 -47.78 -46.76 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . 0.485 ' SD ' HG21 ' A' ' 508' ' ' THR . 15.1 ptm . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 506' ' ' GLN . 78.0 mt-30 -52.43 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 505' ' ' GLN . 44.2 mt-30 -36.65 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.59 -49.4 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.9 m -50.32 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.471 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -64.49 -49.03 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -63.48 -53.53 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.428 ' HB3' HD22 ' A' ' 572' ' ' LEU . 50.9 mt -52.81 -45.09 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.08 -53.11 61.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.73 -51.79 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.11 71.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -52.78 -44.52 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -60.51 -42.66 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.3 OUTLIER -57.77 -63.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.847 HG22 ' HG2' ' A' ' 524' ' ' GLU . 21.4 m -59.37 -42.35 91.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -33.59 -53.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.05 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -57.51 -42.67 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.847 ' HG2' HG22 ' A' ' 520' ' ' THR . 52.7 mm-40 -70.94 -31.0 67.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 43.4 t0 65.97 41.64 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.73 167.07 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 65.6 p -59.31 152.14 21.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.66 -59.5 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.7 11.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.0 -50.16 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.97 0.414 . . . . 0.0 110.954 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.744 HG13 HD13 ' A' ' 561' ' ' LEU . 57.4 t -61.8 -61.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.0 tp -154.81 105.01 2.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.1 Cg_endo -69.74 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -54.47 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 536' ' ' MET . 7.2 p-80 -47.79 -48.81 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . 0.563 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 31.4 ttm -64.8 -59.71 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 16.5 ttp -45.58 -46.55 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 539' ' ' LYS . 26.8 mt -63.52 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 538' ' ' LEU . 5.7 ttmm -34.44 -38.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.686 HD11 ' SG ' ' A' ' 554' ' ' CYS . 64.9 mt -78.18 -54.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.91 40.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.03 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.95 -53.11 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.465 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 70.6 mt 62.79 52.54 1.74 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.73 109.79 2.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.479 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 11.1 ptmm? -52.09 -42.65 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -86.35 158.12 55.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.573 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.6 Cg_endo -69.72 -18.35 37.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -63.69 -48.9 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.425 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -51.23 -29.27 21.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -80.29 -25.55 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.17 -38.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -71.62 -43.13 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.686 ' SG ' HD11 ' A' ' 540' ' ' ILE . 9.6 p -41.81 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 553' ' ' ALA . 1.9 p -115.28 132.92 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 17.0 t-20 -153.44 111.5 2.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 52.9 Cg_endo -69.79 173.46 44.65 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.84 127.84 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . 0.601 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.78 161.46 45.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.71 8.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.744 HD13 HG13 ' A' ' 531' ' ' VAL . 94.8 mt -99.15 -64.32 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 559' ' ' PRO . 98.6 t -42.39 -41.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.23 -41.56 57.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.85 -58.79 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.69 31.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.3 tp -55.57 -39.91 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -55.8 -47.75 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.87 -49.26 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.03 -51.16 62.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 7.5 t-160 -52.91 -46.86 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 97.2 mt -53.86 -46.48 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 512' ' ' LEU . 38.2 mt -56.45 -48.36 77.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.423 HG23 ' HA ' ' A' ' 544' ' ' LEU . 46.9 mm -56.25 -38.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 17.0 mm-40 -71.52 -30.28 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.35 -33.5 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.3 -26.3 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -84.59 -44.61 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 579' ' ' MET . 24.4 pt-20 -49.63 -40.51 39.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . 0.414 ' O ' ' SD ' ' A' ' 579' ' ' MET . 5.0 ppp? . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 83.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -52.78 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -39.41 -50.46 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 20.9 mt -52.87 -49.2 66.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 69.9 m -53.1 -48.68 67.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ALA . . . . . 0.487 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -63.92 -48.25 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.02 -45.83 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -65.01 -47.85 76.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.6 -47.67 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.58 -57.2 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -39.29 -58.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.72 -51.92 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -53.64 -42.39 67.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 528' ' ' TYR . 7.5 ttt-85 -56.2 -53.33 58.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -59.37 -40.63 87.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -61.24 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 94.9 m -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.91 -59.78 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -55.88 -45.53 78.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -63.38 -27.33 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 525' ' ' ASP . 73.9 mm-40 -95.64 19.05 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 524' ' ' GLU . 4.7 t0 36.7 34.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 8.2 tp10 -120.73 162.18 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.5 t -69.2 149.12 48.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 517' ' ' ARG . 46.2 m-85 -55.82 -60.33 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -42.77 -61.2 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.477 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.429 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 58.4 t80 -36.74 -61.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . 0.529 HG13 HD13 ' A' ' 561' ' ' LEU . 99.8 t -43.0 -67.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.4 tp -148.71 108.52 3.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.503 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.0 Cg_endo -69.79 -173.96 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 535' ' ' HIS . 4.5 m120 -73.07 -67.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.503 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 3.8 p80 -35.64 -46.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 37.0 tpp -67.57 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 15.0 ttm -39.22 -63.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 28.9 mt -48.4 -59.48 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -40.73 -51.27 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' ILE . . . . . 0.511 HD11 ' SG ' ' A' ' 554' ' ' CYS . 59.3 mt -65.4 -56.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -48.82 -32.28 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -81.78 -41.97 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.58 -40.45 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.0 mt 54.45 53.27 9.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.649 0.738 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 102.7 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -52.49 -30.91 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 12.2 mt-10 -96.79 157.77 34.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' PRO . . . . . 0.66 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.2 Cg_endo -69.76 -22.73 31.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.1 -38.88 92.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.83 -19.38 55.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -87.95 -18.62 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 558' ' ' VAL . 42.9 mt -91.28 -35.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' CYS . . . . . 0.511 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -50.33 -44.74 54.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 554' ' ' CYS . 2.2 p -85.51 138.43 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -162.11 107.08 1.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.83 176.93 30.83 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.365 -0.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 552' ' ' ILE . 48.2 t -92.99 131.6 32.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 160.35 50.02 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 531' ' ' VAL . 86.1 mt -96.65 -70.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 561' ' ' LEU . 53.4 t -35.43 -35.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 561' ' ' LEU . 5.2 tpt180 -78.13 -48.6 15.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 561' ' ' LEU . 22.0 tt0 -60.16 -50.75 72.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -98.12 21.6 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.7 tp -49.61 -36.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.38 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.63 -51.12 70.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 49.4 mtp -51.27 -52.77 41.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.97 -47.51 61.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 73.1 mt -53.55 -48.57 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 40.5 mt -53.48 -52.9 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 545' ' ' PRO . 35.3 mm -52.74 -41.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.4 mm-40 -68.12 -32.32 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -68.93 -30.86 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.09 -17.31 31.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -96.62 -26.43 15.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -54.0 -41.4 67.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.92 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 60.7 m -54.24 -47.56 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 39.2 t -164.78 109.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 174.62 109.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 1.6 t -71.29 139.39 49.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 70.6 m -89.08 42.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . 0.417 ' C ' ' HD2' ' A' ' 483' ' ' LYS . . . -46.41 -96.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 482' ' ' GLY . 0.7 OUTLIER -139.31 155.62 72.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 84.49 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.308 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 35.2 mt -73.31 91.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.738 ' CZ ' ' CE2' ' A' ' 514' ' ' PHE . 81.5 t80 -119.28 78.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 9.2 t -174.12 127.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.59 49.12 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 490' ' ' SER . 18.0 mt-10 44.96 43.24 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 489' ' ' GLU . 35.0 p 36.1 46.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.44 118.9 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.68 -34.24 74.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.56 -47.79 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.422 HD11 ' HZ ' ' A' ' 510' ' ' PHE . 8.4 tp -52.92 -42.06 65.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.596 ' CE1' HD21 ' A' ' 507' ' ' LEU . 5.0 t80 -71.29 -53.3 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -99.05 45.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -78.26 -45.23 23.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -124.17 153.1 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -52.05 177.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp 60.22 54.15 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -37.32 149.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 75.2 mt -69.68 140.47 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -87.94 -176.84 5.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.0 m -46.29 -67.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.443 ' HG3' HD23 ' A' ' 581' ' ' LEU . 95.3 mt-30 -55.14 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 505' ' ' GLN . 55.6 mt-30 -36.93 -46.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.596 HD21 ' CE1' ' A' ' 495' ' ' TYR . 21.7 mt -62.01 -49.39 76.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 42.6 m -48.44 -51.56 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.478 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -62.45 -39.43 93.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.422 ' HZ ' HD11 ' A' ' 494' ' ' LEU . 18.6 t80 -51.85 -47.41 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -68.35 -44.89 74.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.37 -45.69 69.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.73 -52.15 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.738 ' CE2' ' CZ ' ' A' ' 486' ' ' PHE . 6.3 t80 -47.74 -61.03 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.33 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.583 ' NH2' ' CE1' ' A' ' 514' ' ' PHE . 35.6 ttp180 -53.59 -45.29 69.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 2.4 t70 -61.73 -53.85 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 6.1 tmmm? -49.34 -62.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 51.9 m -62.04 -39.33 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -47.34 -51.0 20.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.484 ' NE ' ' OD1' ' A' ' 518' ' ' ASP . 1.2 mpp_? -68.27 -45.55 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -53.3 -43.56 67.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -80.74 1.81 28.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 25.0 t0 54.31 45.0 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -134.87 169.11 17.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.0 p -69.24 165.34 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -69.35 -56.22 8.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -48.1 -56.34 9.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -40.1 -48.02 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 93.3 t -56.88 -67.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.7 tp -145.58 119.7 5.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.73 177.01 5.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -72.51 -59.37 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -45.62 -53.55 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.456 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.7 ttm -58.75 -56.9 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.3 ttm -44.62 -42.48 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.61 -60.39 2.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -38.6 -45.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.468 HD11 ' SG ' ' A' ' 554' ' ' CYS . 51.9 mt -67.05 -56.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.54 -30.9 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.432 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 19.7 mt-10 -80.63 -34.84 34.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.31 -46.54 66.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.564 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.5 mt 52.06 52.11 10.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.74 113.72 3.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.74 -26.34 22.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.413 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.2 mm-40 -101.85 157.22 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.477 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -20.78 34.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -64.33 -43.12 95.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.79 -26.08 38.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.8 mp -82.64 -30.0 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.445 ' CG2' HG21 ' A' ' 558' ' ' VAL . 53.3 mt -76.83 -36.9 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.84 79.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.468 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -41.82 -36.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.4 p -102.56 151.96 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.7 p-10 -165.89 106.96 0.73 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.76 -178.0 15.78 Favored 'Cis proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.359 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 559' ' ' PRO . 59.5 t -99.76 133.46 21.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.3 Cg_endo -69.8 160.98 47.68 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.85 14.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 564' ' ' GLN . 86.4 mt -96.59 -73.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 561' ' ' LEU . 90.1 t -37.34 -36.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -77.12 -41.21 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 561' ' ' LEU . 10.5 tt0 -68.22 -53.36 25.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -94.56 24.77 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.477 HD11 ' O ' ' A' ' 548' ' ' PRO . 7.3 tp -50.8 -43.38 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.3 m-80 -52.32 -45.45 65.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.25 -53.23 58.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 52.4 mmm -51.35 -50.26 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.408 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.3 t-160 -51.97 -53.83 36.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 75.9 mt -48.55 -48.27 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.87 -53.36 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.564 HG23 ' HA ' ' A' ' 544' ' ' LEU . 27.4 mm -50.96 -40.82 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.49 -32.2 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -69.99 -25.9 63.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.06 -26.89 22.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -87.52 -37.15 17.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 579' ' ' MET . 13.8 pt-20 -48.06 -42.5 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.409 ' N ' ' HG3' ' A' ' 578' ' ' GLU . 4.9 ppp? -71.15 143.33 88.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 170.18 17.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.443 HD23 ' HG3' ' A' ' 505' ' ' GLN . 11.5 mt -97.44 104.83 16.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 583' ' ' LYS . 1.5 mm? -43.66 152.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 582' ' ' LEU . 28.9 mmtp -36.73 121.75 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 23.4 t -163.11 128.17 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.87 106.85 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 12.0 p -106.95 150.52 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -146.67 120.74 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -153.38 165.44 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 147.65 100.16 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 32.3 m -145.44 143.38 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 125.31 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -158.97 149.11 19.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 29.0 p -172.83 154.2 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 7.0 m -138.1 177.77 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 178.37 83.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.68 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 53.9 p -174.16 150.98 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -102.07 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.3 m -134.93 124.71 25.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 40.5 m -153.74 168.27 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 100.93 146.96 20.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 6.9 t -174.35 164.51 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 47.3 t -89.94 -57.95 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 139.06 95.83 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -80.85 148.13 64.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 485' ' ' ILE . 54.1 Cg_endo -69.73 166.13 28.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 484' ' ' PRO . 58.3 mt -33.99 149.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 518' ' ' ASP . 8.7 p90 -98.15 115.8 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 488' ' ' ASP . 64.5 m -167.27 150.89 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . 0.48 ' HA ' ' NE2' ' A' ' 511' ' ' GLN . 9.5 t70 -33.76 -49.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.821 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.44 75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 488' ' ' ASP . 4.2 m -139.56 -177.35 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.33 138.24 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.886 ' O ' HD22 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -75.71 -10.46 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.73 ' N ' HD13 ' A' ' 492' ' ' LEU . 28.6 tt0 -47.27 -51.84 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' ' 494' ' ' LEU . 5.3 mp -49.28 -46.38 46.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.55 -44.94 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.474 ' O ' ' CD ' ' A' ' 496' ' ' ARG . 0.0 OUTLIER -94.11 30.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -74.7 -45.08 46.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.422 ' NE2' ' H ' ' A' ' 499' ' ' LYS . 60.4 tp60 -93.55 151.82 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . 0.422 ' H ' ' NE2' ' A' ' 498' ' ' GLN . 1.5 mptm? -54.53 -59.3 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -63.78 138.88 58.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -74.78 165.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' ' 507' ' ' LEU . 66.4 mt -110.06 154.65 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 504' ' ' THR . 27.8 t30 -96.16 160.82 14.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.839 HG21 ' H ' ' A' ' 582' ' ' LEU . 87.3 m -36.11 -71.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.542 ' NE2' HD21 ' A' ' 581' ' ' LEU . 68.5 mt-30 -49.21 -54.34 17.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -42.97 -43.5 4.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 502' ' ' LEU . 83.8 mt -64.11 -52.29 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 20.6 m -50.68 -38.85 49.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -55.32 -43.6 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 488' ' ' ASP . 13.1 mm100 -60.29 -52.6 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.18 -50.85 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 32.5 mt -59.7 -45.54 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -52.43 -43.6 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.97 12.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.458 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 26.7 t90 -49.04 -53.1 21.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.458 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 14.9 ttp180 -51.61 -68.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.554 ' HB3' ' CD2' ' A' ' 486' ' ' PHE . 30.8 t0 -54.05 -28.92 41.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -67.26 -67.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.428 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 33.8 m -54.62 -20.28 7.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -49.64 -47.52 49.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -62.06 -53.14 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -50.32 -45.97 55.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -76.42 -21.35 56.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.97 48.31 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . 0.537 ' OE2' ' CD2' ' A' ' 530' ' ' TYR . 7.7 tt0 -135.99 171.44 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 t -59.19 154.52 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 529' ' ' GLY . 52.5 m-85 -63.82 -58.3 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -38.23 -56.06 1.91 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.537 ' CD2' ' OE2' ' A' ' 526' ' ' GLU . 6.2 t80 -45.29 -58.23 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.517 ' HA ' HD12 ' A' ' 561' ' ' LEU . 90.3 t -47.28 -63.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.9 tp -164.62 117.86 0.98 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.753 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.3 Cg_endo -69.77 177.85 5.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -75.9 -60.16 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -43.75 -47.36 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.451 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 52.8 ttm -66.09 -56.09 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 41.7 ttp -46.58 -47.6 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.99 -54.6 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -40.63 -51.7 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.44 -50.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -51.73 -36.22 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.85 -38.07 46.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -62.03 -41.7 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.486 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 33.5 mt 55.05 51.9 7.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.565 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 113.77 3.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 13.1 pttm -57.16 -42.88 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -91.28 160.3 37.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.423 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.6 Cg_endo -69.75 -18.85 36.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -70.07 -33.34 71.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.58 72.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.6 mp -78.94 -33.22 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.543 ' CG2' HG21 ' A' ' 558' ' ' VAL . 57.6 mt -75.86 -32.85 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.77 74.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.1 m -62.49 -61.42 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -65.11 119.73 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.4 p30 -149.32 108.86 3.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.77 173.86 42.91 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 -0.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.543 HG21 ' CG2' ' A' ' 552' ' ' ILE . 53.7 t -92.4 129.99 39.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.541 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.8 Cg_endo -69.73 160.4 49.87 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.49 10.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 531' ' ' VAL . 98.5 mt -102.51 -63.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.621 HG13 ' SD ' ' A' ' 569' ' ' MET . 86.1 t -44.62 -37.94 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -74.26 -40.05 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.63 -59.05 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -87.06 19.01 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.4 tp -47.9 -47.63 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.558 ' N ' HG23 ' A' ' 566' ' ' ILE . 12.1 m120 -48.06 -52.52 19.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.73 -55.15 35.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.621 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.4 mtp -48.11 -47.7 34.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.0 t-160 -54.88 -50.34 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.1 mt -51.76 -47.18 64.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.52 -47.19 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.565 HG21 ' O ' ' A' ' 545' ' ' PRO . 29.1 mm -57.1 -37.39 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 8.3 mm-40 -69.54 -37.82 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.02 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 546' ' ' LYS . 75.0 mtp180 -72.43 -38.92 68.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.56 -46.07 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 8.3 ptm -77.49 147.31 75.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.27 68.18 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.41 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.542 HD21 ' NE2' ' A' ' 505' ' ' GLN . 1.4 mm? -73.59 102.95 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.839 ' H ' HG21 ' A' ' 504' ' ' THR . 21.9 mt -76.12 51.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -159.45 142.45 14.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.8 m -111.08 91.03 3.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -156.0 145.4 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 587' ' ' ALA . 8.4 p -117.59 -15.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 586' ' ' VAL . . . -36.13 -46.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -41.52 115.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -132.48 -50.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 4.4 t 37.35 51.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.97 107.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -85.84 132.9 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.7 t -100.93 175.7 5.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 51.0 p -137.56 171.82 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -105.37 140.43 15.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.42 21.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.368 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 10.9 t -137.4 113.86 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 55.5 p -125.91 42.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.2 m -110.66 172.51 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.888 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 95.8 p -61.1 -45.43 94.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 58.62 155.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 5.6 t -92.88 82.94 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 28.8 t -73.59 -56.35 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 122.84 80.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -128.42 155.44 78.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.78 41.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 60.1 mt -92.36 -49.2 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 518' ' ' ASP . 23.3 t80 -90.55 -69.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 488' ' ' ASP . 10.1 t -57.59 -175.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . 0.406 ' N ' ' OG1' ' A' ' 487' ' ' THR . 22.1 t70 -172.07 157.05 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -85.24 -60.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 69.2 m -72.01 91.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.472 ' CG ' ' N ' ' A' ' 492' ' ' LEU . 3.1 p90 -125.46 -43.46 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.472 ' N ' ' CG ' ' A' ' 491' ' ' TYR . 7.7 tp -45.01 -42.6 8.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 494' ' ' LEU . 10.0 pt-20 -46.78 -40.76 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 493' ' ' GLU . 22.8 tp -58.89 -50.49 73.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.505 ' CD2' ' HG3' ' A' ' 496' ' ' ARG . 22.3 t80 -47.86 -56.02 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.505 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 6.7 mtp-105 -97.41 46.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -103.65 94.19 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 44.21 45.82 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -145.17 152.07 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -68.6 175.42 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 501' ' ' HIS . 9.2 p80 -75.42 159.08 31.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 58.1 mt -125.83 146.79 49.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . 0.671 ' ND2' ' H ' ' A' ' 506' ' ' GLN . 1.8 p-10 -83.4 -178.03 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.529 HG21 HD23 ' A' ' 582' ' ' LEU . 56.3 m -57.36 -49.56 75.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -65.26 -49.29 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . 0.671 ' H ' ' ND2' ' A' ' 503' ' ' ASN . 45.2 mt-30 -52.15 -45.0 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.59 -54.12 49.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 32.6 m -45.48 -54.76 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -55.71 -47.81 76.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.06 -51.58 63.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -59.22 -47.45 85.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 572' ' ' LEU . 52.2 mt -53.67 -50.36 65.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.416 HD23 HD12 ' A' ' 572' ' ' LEU . 94.0 mt -63.14 -43.52 98.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -50.01 -53.49 26.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.63 92.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.422 ' CE3' ' N ' ' A' ' 517' ' ' ARG . 47.3 t90 -55.53 -58.63 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.422 ' N ' ' CE3' ' A' ' 516' ' ' TRP . 22.5 ttp180 -53.77 -53.21 55.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 486' ' ' PHE . 34.1 t0 -53.23 -42.25 66.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -64.39 -59.79 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 18.6 m -55.61 -34.92 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -41.92 -53.81 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -72.1 -40.8 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -52.27 -44.74 65.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 525' ' ' ASP . 81.4 mm-40 -100.84 21.3 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 524' ' ' GLU . 43.5 m-20 34.81 43.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 530' ' ' TYR . 18.8 mm-40 -112.03 171.67 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 531' ' ' VAL . 30.1 p -92.62 163.72 13.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.92 -59.42 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.1 -57.13 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 526' ' ' GLU . 50.7 t80 -49.53 -63.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.477 ' HA ' HD12 ' A' ' 561' ' ' LEU . 97.9 t -49.96 -66.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 16.0 tp -158.08 110.14 1.74 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.7 Cg_endo -69.72 158.83 55.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -54.61 -51.53 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.6 p-80 -46.19 -49.82 16.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.682 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 47.3 tpp -64.75 -49.4 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 12.1 ttm -51.66 -48.44 63.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.98 -60.4 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -39.99 -45.2 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.7 -56.06 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -47.86 -35.74 10.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -80.71 -39.11 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' ' 577' ' ' ARG . 47.5 mt 58.56 54.66 5.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.604 0.716 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.707 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.8 Cg_endo -69.73 105.44 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -56.58 -30.05 62.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.439 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 5.6 mm-40 -99.02 159.37 30.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.62 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.73 -22.82 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.739 2.293 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.65 -31.03 36.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.3 mp -76.71 -20.6 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 558' ' ' VAL . 60.4 mt -90.86 -38.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 30.3 p -50.22 -28.85 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 558' ' ' VAL . 67.6 m -95.67 136.57 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 23.4 t-20 -162.42 105.02 1.09 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.4 Cg_endo -69.74 176.33 32.99 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.326 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 555' ' ' CYS . 83.9 t -101.78 123.86 42.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.624 0.726 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.486 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.1 Cg_endo -69.76 168.92 20.18 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -38.48 7.81 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 531' ' ' VAL . 65.1 mt -60.78 -67.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 559' ' ' PRO . 96.3 t -39.63 -37.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.17 -34.94 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' LEU . 9.5 tt0 -69.55 -54.61 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -93.17 23.96 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 6.7 tp -55.0 -28.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.85 -47.33 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.39 -49.15 76.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 39.7 mtp -52.87 -52.09 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -53.1 -47.04 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.26 -45.2 68.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.416 HD12 HD23 ' A' ' 513' ' ' LEU . 60.5 mt -57.32 -55.75 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.707 HG21 ' O ' ' A' ' 545' ' ' PRO . 38.8 mm -49.21 -38.48 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.78 -31.44 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -72.77 -23.41 60.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -87.43 -25.58 23.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.481 ' NE ' ' O ' ' A' ' 544' ' ' LEU . 5.5 mtt-85 -92.23 -40.52 10.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.2 -39.6 56.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -72.57 140.76 81.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.8 6.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 582' ' ' LEU . 11.2 mt -105.12 102.14 11.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.529 HD23 HG21 ' A' ' 504' ' ' THR . 3.6 mm? -37.06 -47.2 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -146.23 132.0 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 86.4 p -174.7 123.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.53 98.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 8.6 p -47.14 140.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -118.59 168.03 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -82.3 165.89 19.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -122.04 -132.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.47 136.84 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -75.76 110.15 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 593' ' ' SER . 38.9 tttp -65.77 -51.69 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 592' ' ' LYS . 23.1 t -35.52 108.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . 0.402 ' C ' ' HD3' ' A' ' 596' ' ' PRO . 48.8 p -119.6 157.24 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -110.18 68.66 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 597' ' ' SER . 53.9 Cg_endo -69.8 3.43 2.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 596' ' ' PRO . 6.6 m -31.14 134.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 20.1 p -48.32 176.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 39.0 t -106.37 83.96 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 61.3 p -120.91 101.84 7.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -153.58 37.94 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 68.5 m -89.42 165.99 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 29.6 t -149.96 141.53 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 128.81 126.05 2.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -83.12 150.17 60.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.517 0.675 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.81 26.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.77 108.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 514' ' ' PHE . 17.0 m-85 -85.0 -59.72 2.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 487' ' ' THR . 19.4 m 41.87 25.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 486' ' ' PHE . 5.1 t70 61.26 46.02 8.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -173.15 165.93 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 35.8 t -120.58 156.96 30.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -154.54 171.81 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 494' ' ' LEU . 9.4 mp -72.47 -47.05 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 492' ' ' LEU . 2.7 tp10 -36.15 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 492' ' ' LEU . 27.3 tp -91.82 -48.86 6.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.725 ' CE1' HD21 ' A' ' 507' ' ' LEU . 2.1 t80 -55.84 -52.56 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 13.1 mtt-85 -94.16 48.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -63.09 -62.84 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 499' ' ' LYS . 3.9 tp-100 -81.96 40.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 498' ' ' GLN . 35.1 mttp 34.41 39.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -124.13 146.5 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -100.25 99.93 10.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 66.6 mt -59.99 156.74 14.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -82.6 176.09 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 19.1 m -54.08 -65.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -54.01 -45.77 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -54.46 -46.42 73.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.725 HD21 ' CE1' ' A' ' 495' ' ' TYR . 48.9 mt -57.86 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.42 HG21 ' HA ' ' A' ' 576' ' ' ALA . 54.9 m -50.73 -56.0 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.07 -51.18 64.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 74.6 t80 -50.05 -53.99 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -52.29 -53.29 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.417 ' HB3' HD22 ' A' ' 572' ' ' LEU . 37.0 mt -52.42 -53.86 39.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 514' ' ' PHE . 38.4 mt -54.28 -65.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.637 ' CZ ' ' CE1' ' A' ' 486' ' ' PHE . 26.6 t80 -34.35 -54.09 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.38 -62.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -43.96 -42.62 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.616 HH12 ' HB2' ' A' ' 521' ' ' ALA . 2.8 ttt-85 -57.01 -64.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 486' ' ' PHE . 26.3 t0 -40.88 -50.05 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -50.83 -52.06 45.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 23.3 m -60.73 -36.18 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.616 ' HB2' HH12 ' A' ' 517' ' ' ARG . . . -68.53 -21.29 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.55 -31.04 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . 0.469 ' CG ' ' OE2' ' A' ' 524' ' ' GLU . 6.4 ptm180 -91.26 -38.09 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.469 ' OE2' ' CG ' ' A' ' 523' ' ' ARG . 0.2 OUTLIER -70.85 -35.57 72.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 12.1 t70 72.0 51.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' CE2' ' A' ' 530' ' ' TYR . 22.6 mt-10 -129.63 174.14 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 96.1 p -64.88 168.32 6.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.455 ' O ' ' NH2' ' A' ' 517' ' ' ARG . 11.1 m-85 -83.84 -22.28 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -97.24 33.57 5.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 561' ' ' LEU . 5.2 t80 -124.64 -67.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.707 HG13 HD13 ' A' ' 561' ' ' LEU . 45.4 t -47.23 -51.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.3 tp -156.51 105.01 2.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 53.9 Cg_endo -69.73 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.83 -49.67 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.54 ' CG ' ' N ' ' A' ' 536' ' ' MET . 14.6 p-80 -54.52 -48.43 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.54 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 34.9 ttm -63.75 -55.45 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 22.8 ttm -48.53 -58.91 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 34.0 mt -53.17 -56.86 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -39.36 -60.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 38.6 mt -59.83 -57.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.88 -35.92 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.446 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 55.5 mt-10 -81.94 -39.83 23.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -55.32 -49.06 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 38.8 mt 62.67 49.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.81 102.1 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -50.09 -27.7 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 551' ' ' ILE . 12.3 mt-10 -103.4 160.0 27.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.3 Cg_endo -69.76 -27.68 26.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -55.82 -30.68 57.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.9 mp -73.54 -23.89 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.423 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -85.06 -33.17 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.45 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 1.9 m -67.27 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.8 p -60.32 115.08 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 4.7 t-20 -142.39 108.63 5.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 177.55 28.38 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.369 -0.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.443 HG13 ' SG ' ' A' ' 555' ' ' CYS . 46.2 t -93.34 124.84 56.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.46 56.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -1.68 8.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 531' ' ' VAL . 64.5 mt -100.34 -69.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.561 HG13 ' SD ' ' A' ' 569' ' ' MET . 78.4 t -39.67 -36.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.02 -37.07 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 561' ' ' LEU . 24.9 tt0 -71.81 -52.24 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -90.85 21.68 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.472 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.5 tp -53.39 -31.18 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.1 -48.88 74.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.86 -50.81 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.561 ' SD ' HG13 ' A' ' 562' ' ' VAL . 60.2 mtp -52.9 -47.99 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -55.07 -48.9 72.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 82.8 mt -52.53 -45.39 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 512' ' ' LEU . 47.5 mt -57.25 -49.54 75.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.47 -43.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -62.61 -39.17 92.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.55 -43.15 99.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -65.41 -35.61 81.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 13.8 mtp-105 -78.94 -31.84 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.85 -49.21 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -74.0 143.17 80.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.514 0.673 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.53 4.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.05 121.77 42.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 16.4 mt -105.76 102.34 11.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 584' ' ' SER . 0.4 OUTLIER -171.02 174.63 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 583' ' ' LYS . 48.1 t -35.67 -46.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.55 49.95 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.66 144.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -44.52 -55.7 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . 38.29 41.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 590' ' ' VAL . . . -45.58 97.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.439 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 589' ' ' GLY . 0.7 OUTLIER -31.58 -51.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 0.0 111.163 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.85 171.31 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -101.32 -58.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.3 m 48.07 45.02 19.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 19.8 m -114.1 94.96 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -89.33 162.4 30.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 40.7 m -85.38 162.55 18.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 78.8 p -51.42 160.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 71.2 p -155.56 117.42 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.4 m -122.23 112.04 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 115.76 -159.97 13.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 3.2 t -132.54 -51.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 482' ' ' GLY . 78.8 p -141.09 173.63 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 481' ' ' SER . . . -37.31 -62.95 0.85 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -143.32 154.6 60.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.84 66.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.387 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 61.2 mt -125.55 112.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 518' ' ' ASP . 8.4 t80 46.17 48.24 12.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 487' ' ' THR . 2.9 t -71.93 73.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -125.38 132.56 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 490' ' ' SER . 55.0 tt0 -50.03 160.71 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 489' ' ' GLU . 92.3 p -50.04 153.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.432 ' CD1' ' HG3' ' A' ' 511' ' ' GLN . 5.7 p90 -44.53 -41.99 6.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 491' ' ' TYR . 12.3 tp -35.57 -47.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 492' ' ' LEU . 27.0 tt0 -38.22 -49.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.33 -51.77 27.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -40.0 -51.13 2.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 497' ' ' LYS . 73.0 mtp180 -46.66 -50.18 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 496' ' ' ARG . 59.9 mttt -35.67 -68.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.86 156.47 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 499' ' ' LYS . 0.0 OUTLIER -95.88 -54.55 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -43.75 119.84 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 501' ' ' HIS . 0.2 OUTLIER -71.76 128.67 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 85.2 mt -88.01 154.45 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -86.4 169.87 12.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 84.9 m -44.9 -60.89 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 581' ' ' LEU . 76.4 mt-30 -57.22 -51.51 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -44.19 -45.89 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.5 mt -64.91 -53.48 45.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 25.3 m -45.28 -54.04 7.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -56.49 -52.64 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -45.24 -41.31 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . 0.432 ' HG3' ' CD1' ' A' ' 491' ' ' TYR . 4.8 tt0 -65.81 -52.52 49.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 572' ' ' LEU . 46.8 mt -49.79 -48.95 50.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.97 -48.08 82.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -47.87 -64.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -47.58 -47.56 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -57.43 -50.14 73.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -48.28 -50.65 29.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 8.9 t70 -58.09 -47.83 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 520' ' ' THR . 2.9 tmmm? -49.17 -61.52 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.453 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.9 m -64.56 -37.67 88.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -46.19 -36.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.81 -54.77 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -49.68 -47.98 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -73.8 -34.33 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 70.0 42.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -128.79 166.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.6 t -62.17 132.58 53.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 529' ' ' GLY . 60.8 m-85 -43.08 -52.46 5.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.86 -51.84 2.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 561' ' ' LEU . 2.6 t80 -54.43 -55.61 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 88.2 t -47.72 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.433 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 11.9 tp -164.31 108.47 0.88 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.73 -173.06 0.64 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -74.23 -52.67 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 7.8 p80 -48.21 -50.76 28.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 20.3 tpp -63.66 -60.59 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 5.4 ttp -45.01 -37.79 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 41.2 mt -68.41 -47.72 66.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -49.62 -46.22 49.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.46 ' CG1' ' SG ' ' A' ' 554' ' ' CYS . 11.0 mt -72.66 -53.09 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.59 -33.33 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -83.94 -44.91 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.65 -53.57 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.491 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 26.9 mt 58.07 51.54 4.47 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.632 0.73 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.66 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.82 135.88 31.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.725 2.284 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 8.1 ptmm? -67.0 -42.31 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.409 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 2.9 mm-40 -91.4 160.61 36.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.68 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.78 -7.0 19.95 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.73 -50.5 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.43 -31.78 9.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -73.56 -29.92 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.418 ' CG2' HG21 ' A' ' 558' ' ' VAL . 54.9 mt -77.45 -33.86 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -69.81 -45.89 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.46 ' SG ' ' CG1' ' A' ' 540' ' ' ILE . 3.9 p -39.15 -30.27 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 558' ' ' VAL . 0.9 OUTLIER -103.86 155.22 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.1 t-20 -173.37 106.2 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.74 177.86 27.37 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.343 -0.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.639 HG22 ' SG ' ' A' ' 555' ' ' CYS . 92.5 t -100.61 124.01 43.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.25 38.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -2.3 9.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 530' ' ' TYR . 76.1 mt -93.36 -70.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.508 HG13 ' SD ' ' A' ' 569' ' ' MET . 94.3 t -40.59 -38.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -72.38 -46.1 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.49 -56.72 15.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -84.31 14.31 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.534 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.8 tp -47.5 -33.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.32 -52.36 58.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -58.18 -50.22 74.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.508 ' SD ' HG13 ' A' ' 562' ' ' VAL . 35.0 mtp -52.09 -55.09 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.6 t-160 -48.53 -49.38 36.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 92.7 mt -52.7 -47.0 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 512' ' ' LEU . 51.8 mt -55.58 -44.07 76.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 545' ' ' PRO . 30.3 mm -58.54 -47.23 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -60.85 -34.02 73.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.68 -47.28 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.5 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 578' ' ' GLU . 71.5 mtp180 -76.36 -41.11 49.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 577' ' ' ARG . 7.3 mt-10 -34.22 -53.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -70.66 142.53 88.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.539 0.685 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.9 2.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 583' ' ' LYS . 13.8 mt -110.71 107.35 16.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.472 ' CD2' ' H ' ' A' ' 582' ' ' LEU . 3.2 mm? -46.24 90.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 581' ' ' LEU . 36.1 pttt 35.25 51.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 3.2 t -88.14 -47.7 8.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -89.57 103.36 16.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.42 142.23 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -172.57 142.72 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -72.42 117.66 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 125.73 -55.4 0.73 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 591' ' ' LYS . 2.0 p -65.11 135.38 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.405 . . . . 0.0 111.069 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 590' ' ' VAL . 21.6 ttpt -62.8 163.45 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 592' ' ' LYS . 0.0 OUTLIER -147.07 144.55 29.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.2 t -140.1 125.97 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 6.2 m -163.56 176.24 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 150.99 -86.34 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 597' ' ' SER . 53.8 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 596' ' ' PRO . 3.3 t -34.56 -57.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 85.7 p -66.27 94.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 47.1 m -120.18 42.25 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 7.3 t -98.54 144.83 27.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 136.75 67.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 53.5 p -118.03 40.46 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 44.6 t -82.18 47.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -165.35 133.7 3.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -58.38 155.47 27.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.4 40.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.16 151.59 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 30.1 m-85 60.9 49.93 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 87.3 m -108.25 -59.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -106.17 -58.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -174.94 154.21 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.3 m -40.55 110.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -81.78 160.6 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 493' ' ' GLU . 3.8 mm? -81.97 -43.93 17.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 492' ' ' LEU . 26.5 tt0 -38.02 -41.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 21.5 tp -67.6 -48.02 68.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -64.53 -61.62 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.01 30.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -50.86 -48.93 60.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -140.39 167.04 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -50.86 -176.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 58.92 48.38 11.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -47.14 169.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.455 HD11 ' CD2' ' A' ' 538' ' ' LEU . 38.3 mt -87.51 143.58 27.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . 0.433 HD22 HD21 ' A' ' 581' ' ' LEU . 2.9 p-10 -86.81 -175.0 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.478 ' HB ' HD23 ' A' ' 581' ' ' LEU . 5.8 m -49.26 -63.9 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.188 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -51.02 -67.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -41.22 -46.75 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.03 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.7 m -49.23 -46.71 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.663 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -69.23 -39.19 78.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 510' ' ' PHE . 3.6 t80 -55.63 -42.69 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -71.36 -43.66 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 59.7 mt -59.3 -47.99 83.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.18 -55.57 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 33.7 t80 -44.73 -61.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -55.37 -51.08 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.593 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 7.2 t90 -50.48 -42.54 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.796 ' HE ' HD23 ' A' ' 532' ' ' LEU . 16.7 ttm180 -61.07 -62.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 0.2 OUTLIER -40.15 -44.9 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.14 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 29.3 m -58.15 -29.1 65.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.78 -54.53 46.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -59.21 -47.72 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -57.8 -45.08 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -81.81 4.34 22.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.98 39.66 5.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.68 167.45 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.8 t -71.87 137.95 47.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -43.14 -55.82 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -60.8 -53.47 45.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 530' ' ' TYR . 6.0 t80 -40.09 -48.83 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 561' ' ' LEU . 98.2 t -54.23 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.796 HD23 ' HE ' ' A' ' 517' ' ' ARG . 12.4 tp -146.26 118.85 5.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.61 0.719 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.505 ' HB2' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 164.23 35.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 535' ' ' HIS . 73.3 m-20 -68.39 -66.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 533' ' ' PRO . 9.0 p80 -35.36 -48.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.463 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 35.9 ttm -59.64 -60.52 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 50.5 ttp -42.98 -50.8 5.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 502' ' ' LEU . 34.6 mt -51.95 -59.27 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -43.95 -41.94 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.432 HD11 ' SG ' ' A' ' 554' ' ' CYS . 22.9 mt -70.66 -57.62 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -52.61 -27.56 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.425 ' HG2' HD22 ' A' ' 502' ' ' LEU . 17.0 mt-10 -89.0 -24.72 22.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -80.02 -42.45 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.545 ' HA ' HG23 ' A' ' 573' ' ' ILE . 60.8 mt 50.94 53.61 14.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.476 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.75 113.74 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -47.67 -52.38 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -81.13 155.62 72.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.663 0.744 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.54 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.2 Cg_endo -69.72 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -70.09 -39.91 75.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.26 -25.97 63.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.552 ' HB ' HD11 ' A' ' 566' ' ' ILE . 4.7 mp -80.68 -20.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.57 -31.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.91 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 540' ' ' ILE . 7.0 p -48.9 -34.05 11.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 558' ' ' VAL . 1.7 p -97.17 142.34 29.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.4 p30 -164.42 107.51 0.87 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.637 0.732 . . . . 0.0 110.918 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.79 176.98 30.52 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.331 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.515 HG13 ' SG ' ' A' ' 555' ' ' CYS . 37.2 t -97.1 126.87 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.68 48.81 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.47 12.08 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 531' ' ' VAL . 78.4 mt -94.87 -74.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 561' ' ' LEU . 71.7 t -36.77 -38.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -75.16 -42.13 56.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.5 tt0 -65.02 -50.96 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -97.97 22.5 9.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.552 HD11 ' HB ' ' A' ' 551' ' ' ILE . 5.3 tp -51.55 -40.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.423 ' N ' HG23 ' A' ' 566' ' ' ILE . 60.5 m-20 -54.38 -53.42 54.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.593 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.9 tp10 -56.77 -54.08 50.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 54.4 mtp -50.83 -51.24 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.45 -52.54 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.5 mt -49.09 -52.97 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 36.6 mt -50.06 -50.5 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.545 HG23 ' HA ' ' A' ' 544' ' ' LEU . 17.6 mm -51.72 -46.16 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.605 HE21 ' N ' ' A' ' 574' ' ' GLN . 2.8 mm-40 -66.1 -35.9 81.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.34 -22.21 64.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.663 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -92.16 -39.83 11.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.24 -35.92 47.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -45.25 -50.61 11.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -71.71 141.07 84.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.565 0.697 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -176.07 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.478 HD23 ' HB ' ' A' ' 504' ' ' THR . 20.0 mt -98.53 119.4 37.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 68.1 mt -107.01 93.96 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -168.9 147.48 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 9.1 t -97.46 130.18 44.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.64 138.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -74.62 116.49 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -85.59 128.0 34.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -91.23 -119.76 2.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.436 HG22 ' N ' ' A' ' 591' ' ' LYS . 13.3 p -125.59 156.25 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.363 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 590' ' ' VAL . 17.9 ptmt -131.14 169.26 16.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 593' ' ' SER . 0.7 OUTLIER -49.66 148.04 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . 0.422 ' N ' ' HD3' ' A' ' 592' ' ' LYS . 42.3 t -143.28 154.71 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 2.6 t -172.84 170.36 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 596' ' ' PRO . . . 153.61 -62.78 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 595' ' ' GLY . 53.1 Cg_endo -69.82 -36.55 10.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.302 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.1 m -39.61 121.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 73.2 m -67.61 117.7 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 20.9 m -139.32 130.0 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 2.5 m -127.23 124.55 39.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 150.22 147.91 4.65 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 22.9 t -48.11 146.65 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 86.7 p -137.78 130.97 30.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -86.56 41.84 3.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -67.89 144.21 97.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 165.51 30.73 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 22.8 mt -119.26 146.76 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.791 ' CE1' ' CZ ' ' A' ' 514' ' ' PHE . 28.6 m-85 -114.16 -174.78 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 486' ' ' PHE . 10.5 t 47.64 25.7 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -163.05 153.8 16.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -42.07 136.67 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 79.6 p -73.6 163.97 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.66 135.91 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 495' ' ' TYR . 22.6 mt -46.07 -46.6 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -39.82 -36.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 495' ' ' TYR . 0.0 OUTLIER -78.4 -34.14 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.507 ' N ' ' O ' ' A' ' 492' ' ' LEU . 13.7 t80 -77.95 -62.63 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' LYS . 0.4 OUTLIER -82.05 10.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' ARG . 35.7 tptt -33.3 -41.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -98.35 167.1 11.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 9.3 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -129.81 138.71 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -83.38 171.13 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 27.1 mt -110.42 151.01 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -89.07 -178.6 5.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.415 HG21 ' H ' ' A' ' 582' ' ' LEU . 9.3 m -50.57 -61.14 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.407 ' HG3' ' CD1' ' A' ' 581' ' ' LEU . 43.5 mt-30 -53.65 -53.12 56.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -50.21 -53.1 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.447 HD21 ' CE1' ' A' ' 495' ' ' TYR . 32.6 mt -55.12 -52.97 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.457 HG21 ' SD ' ' A' ' 579' ' ' MET . 95.1 m -51.35 -47.92 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.37 -57.77 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.493 ' CE1' ' SD ' ' A' ' 537' ' ' MET . 48.3 t80 -43.13 -43.96 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.17 -57.34 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 55.1 mt -41.4 -48.41 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.58 -58.4 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.791 ' CZ ' ' CE1' ' A' ' 486' ' ' PHE . 36.9 t80 -37.44 -61.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -52.15 -55.23 22.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -49.38 -47.32 47.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 14.5 ttt-85 -52.69 -51.38 60.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -64.07 -44.63 91.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.5 OUTLIER -52.65 -51.84 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 92.5 m -75.53 -33.5 60.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.42 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -54.63 -51.92 63.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.79 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -72.35 -28.18 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 7.2 t70 66.06 48.08 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -132.51 173.89 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.2 m -63.3 128.74 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.43 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 55.0 m-85 -43.41 -51.11 6.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -54.87 -48.66 65.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -43.95 -47.31 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 63.8 t -53.14 -65.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.19 119.89 2.75 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.577 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.3 Cg_endo -69.82 176.66 6.52 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -72.57 -55.46 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.577 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 13.3 p80 -46.27 -50.3 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 555' ' ' CYS . 42.0 tpp -61.13 -57.94 10.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . 0.493 ' SD ' ' CE1' ' A' ' 510' ' ' PHE . 16.5 ttm -45.5 -50.99 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -58.46 -56.4 22.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 554' ' ' CYS . 1.7 tmtp? -44.72 -39.44 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 47.0 mt -74.03 -57.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -43.48 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.45 -38.27 68.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -62.05 -51.91 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 58.8 mt 60.32 52.58 3.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.6 Cg_endo -69.77 114.52 3.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.479 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 16.2 ptmt -56.18 -33.86 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -95.71 159.32 32.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.677 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -22.08 32.7 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.405 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -61.59 -42.4 98.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -56.56 -25.74 50.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -81.42 -19.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 558' ' ' VAL . 63.8 mt -90.88 -37.77 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 539' ' ' LYS . 30.3 p -46.55 -34.97 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 536' ' ' MET . 16.4 m -87.57 109.38 19.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 557' ' ' PRO . 37.8 t30 -135.58 102.7 10.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 555' ' ' CYS . 53.6 Cg_endo -69.74 -168.48 4.42 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.316 -0.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 552' ' ' ILE . 89.5 t -107.77 125.78 31.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.41 42.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.57 36.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.56 -70.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.564 HG13 ' SD ' ' A' ' 569' ' ' MET . 97.8 t -37.52 -44.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 566' ' ' ILE . 6.4 tpt180 -69.38 -43.65 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -62.45 -56.09 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.02 22.23 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.523 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.7 tp -52.7 -34.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.95 -50.31 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -58.58 -51.49 69.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.564 ' SD ' HG13 ' A' ' 562' ' ' VAL . 43.2 mtp -51.2 -51.97 48.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -52.03 -51.08 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 76.5 mt -50.15 -47.12 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.12 -52.73 62.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 45.9 mm -53.37 -37.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.1 mm-40 -72.62 -34.98 67.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -66.83 -28.77 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -89.77 -36.54 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -75.18 -34.12 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.02 -38.13 87.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.457 ' SD ' HG21 ' A' ' 508' ' ' THR . 17.9 ptm -78.44 144.42 65.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 179.87 3.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 505' ' ' GLN . 6.3 mp -112.41 101.81 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.415 ' H ' HG21 ' A' ' 504' ' ' THR . 5.6 mp -87.53 -61.99 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -76.33 86.22 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 82.1 p -151.92 124.07 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.65 132.37 54.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.82 -15.37 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -50.5 106.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -102.67 174.92 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -135.76 168.25 23.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 97.5 t -143.02 138.11 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -113.09 138.81 49.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -142.59 138.05 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 8.3 t -120.95 161.5 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 73.1 m -140.43 175.9 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -127.72 143.93 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -173.6 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.365 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 1.3 t -90.62 158.21 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 73.8 m -108.16 166.64 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.434 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 35.5 t -41.75 139.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 46.8 p -67.58 151.86 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -63.93 155.07 45.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 69.2 m -46.41 -49.96 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 73.7 m -133.61 113.7 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -123.6 -57.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -48.6 146.88 4.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 485' ' ' ILE . 53.8 Cg_endo -69.76 80.01 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.297 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.675 ' O ' HG22 ' A' ' 485' ' ' ILE . 37.7 mt 34.08 35.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 518' ' ' ASP . 39.6 t80 34.26 44.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 487' ' ' THR . 8.9 t -127.4 126.98 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -166.16 131.89 2.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -88.03 37.52 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.6 m -124.77 47.57 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.432 ' CE1' ' HG ' ' A' ' 492' ' ' LEU . 42.2 p90 -88.33 -42.58 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 491' ' ' TYR . 31.9 mt -42.42 -30.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -63.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' A' ' 510' ' ' PHE . 0.9 OUTLIER -57.76 -28.09 63.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.1 -38.65 79.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -95.88 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -109.18 -38.64 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.418 HE22 ' CG ' ' A' ' 500' ' ' LYS . 0.0 OUTLIER -101.71 142.04 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.98 79.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.418 ' CG ' HE22 ' A' ' 498' ' ' GLN . 3.7 mmmp? -152.98 154.41 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -125.48 110.74 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 51.7 mt -93.08 146.98 23.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -98.15 178.96 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.508 HG22 ' CE ' ' A' ' 579' ' ' MET . 88.3 m -40.88 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -50.91 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -39.03 -60.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 39.1 mt -51.72 -40.99 61.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 39.4 m -57.7 -51.94 67.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -61.59 -41.12 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 494' ' ' LEU . 39.9 t80 -54.64 -56.11 22.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.31 -48.74 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 572' ' ' LEU . 64.1 mt -51.97 -45.63 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.461 HD13 ' HG3' ' A' ' 537' ' ' MET . 47.3 mt -57.96 -51.41 69.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.416 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 41.3 t80 -48.48 -59.59 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.53 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -63.62 -39.49 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 521' ' ' ALA . 28.9 ttp85 -55.69 -41.29 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 7.9 t0 -71.01 -51.72 23.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.1 tmmm? -42.31 -59.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.458 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.2 m -69.76 -40.52 76.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 517' ' ' ARG . . . -42.96 -41.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.066 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 522' ' ' ARG . 12.4 mtp-105 -74.18 -45.94 45.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -55.21 -39.72 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -90.18 -6.12 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 40.4 53.97 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -131.0 175.86 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 17.7 m -64.8 128.85 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -46.03 -46.96 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.95 -59.46 9.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -40.13 -48.45 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.965 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 92.6 t -52.66 -64.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.7 tp -155.56 116.17 2.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.5 Cg_endo -69.78 178.07 4.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -74.51 -48.76 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 16.3 p80 -52.75 -49.93 64.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 28.9 tpp -66.21 -53.39 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . 0.479 ' HA ' HD21 ' A' ' 532' ' ' LEU . 17.9 ttp -47.61 -57.32 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 539' ' ' LYS . 21.4 mt -56.53 -58.57 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 538' ' ' LEU . 31.3 tttp -36.75 -46.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.49 -54.37 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.418 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -52.07 -27.44 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 77.2 mt-10 -87.87 -40.23 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.14 -32.02 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.5 mt 48.02 52.92 13.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.8 Cg_endo -69.71 91.99 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -44.81 -28.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 18.9 mt-10 -97.9 156.82 35.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.642 ' HA ' HD13 ' A' ' 551' ' ' ILE . 52.8 Cg_endo -69.8 -23.03 31.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -63.87 -45.69 88.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.48 -31.99 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.642 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.4 mp -76.46 -20.47 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.601 HD11 HG12 ' A' ' 566' ' ' ILE . 42.2 mt -91.11 -37.07 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.06 -34.74 71.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 20.2 p -51.74 -35.36 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.03 149.76 21.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -168.72 109.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.75 174.69 39.51 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.368 -0.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.33 127.21 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 160.78 48.44 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.0 mt -90.63 -68.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 561' ' ' LEU . 72.9 t -36.61 -47.14 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -43.83 82.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 561' ' ' LEU . 0.6 OUTLIER -62.11 -56.54 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -90.26 16.81 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 552' ' ' ILE . 4.3 tp -48.49 -34.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.98 -49.94 75.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.63 -50.88 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 37.1 mtp -51.27 -55.39 18.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -49.38 -47.77 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 71.8 mt -53.16 -46.48 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 512' ' ' LEU . 48.7 mt -55.96 -57.72 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 37.1 mm -47.36 -39.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.27 -33.31 74.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.78 -26.11 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -87.33 -21.72 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -92.77 -40.87 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.57 -34.99 8.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.508 ' CE ' HG22 ' A' ' 504' ' ' THR . 17.7 ptm -84.81 146.26 45.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -169.4 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 12.4 mt -109.48 113.68 26.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.47 85.98 2.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -173.58 142.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 22.2 t -98.28 101.5 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -160.0 135.66 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.4 p -168.67 134.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -167.51 110.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -131.02 88.98 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -100.05 101.03 2.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.83 123.05 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.77 111.75 10.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -149.34 151.94 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 95.1 p -144.89 135.96 24.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 68.7 p -146.36 113.87 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -176.71 87.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.33 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.1 m -130.49 169.14 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 87.9 p -121.37 42.3 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 36.7 m -67.81 96.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 29.8 t -138.07 130.76 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -141.75 -128.98 2.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 35.6 t -90.61 -44.95 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 92.6 p -79.94 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 105.49 -73.7 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -144.49 156.26 56.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 114.9 3.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 485' ' ' ILE . 5.2 mp -74.93 134.58 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 514' ' ' PHE . 31.9 m-85 -39.29 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.755 ' O ' HG22 ' A' ' 487' ' ' THR . 78.1 m 44.51 35.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 487' ' ' THR . 1.3 p30 36.5 42.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.43 -64.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.9 m -170.17 127.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -86.61 -39.86 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 493' ' ' GLU . 11.8 tp -49.32 -39.87 33.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 492' ' ' LEU . 10.2 mm-40 -36.55 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 494' ' ' LEU . 5.3 mp -38.76 -54.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.47 -49.11 70.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -57.98 -33.52 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 494' ' ' LEU . 28.8 mmtt -38.13 -47.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.16 147.45 23.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . 0.473 ' H ' ' CE ' ' A' ' 499' ' ' LYS . 0.0 OUTLIER -86.23 14.04 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -106.25 112.55 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -65.49 149.52 49.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.97 154.92 28.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -84.97 164.07 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 86.6 m -40.87 -63.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.474 ' CD ' HD21 ' A' ' 581' ' ' LEU . 83.3 mt-30 -54.98 -45.41 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.84 -49.24 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 35.4 mt -68.03 -48.11 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.44 HG21 ' SD ' ' A' ' 579' ' ' MET . 90.1 m -48.94 -52.99 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.44 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.76 -43.58 63.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -61.98 -54.75 37.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 53.7 mt -45.33 -52.93 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.65 -52.56 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 486' ' ' PHE . 13.5 t80 -41.99 -53.19 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.95 91.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -51.96 -55.01 22.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.489 ' HG3' ' CG1' ' A' ' 531' ' ' VAL . 27.9 ttp180 -56.32 -45.35 80.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 0.5 OUTLIER -56.4 -44.32 80.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 519' ' ' LYS . 1.7 ttpm? -65.55 -62.25 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 57.4 m -50.95 -42.21 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -45.29 -41.31 8.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -72.93 -48.36 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -54.61 -46.81 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.93 -33.67 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 3.7 t70 73.45 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . 0.583 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -117.22 162.29 18.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 26.4 m -58.86 137.1 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -48.95 -52.46 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -49.46 -45.12 37.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 75.2 t80 -55.5 -56.45 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.919 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 517' ' ' ARG . 61.4 t -47.69 -61.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 16.7 tp -162.78 118.9 1.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.74 171.93 13.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -71.24 -50.27 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.694 ' CD2' ' N ' ' A' ' 536' ' ' MET . 1.9 p-80 -51.5 -50.68 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.694 ' N ' ' CD2' ' A' ' 535' ' ' HIS . 30.4 tpp -60.66 -50.06 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 27.7 ttp -50.79 -43.8 58.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.27 -61.58 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -40.15 -46.12 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.43 -54.99 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.47 -40.67 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -62.62 -53.1 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 50.7 mt 61.62 53.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.622 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.83 124.68 11.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.98 64.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -103.96 157.11 34.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.753 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.79 -1.79 9.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -78.44 -51.86 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -48.68 -35.58 16.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.753 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -69.53 -25.09 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 558' ' ' VAL . 59.3 mt -89.39 -31.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.72 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 551' ' ' ILE . 28.4 p -42.6 -37.07 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.656 ' HA ' ' HE3' ' A' ' 536' ' ' MET . 89.1 m -90.29 131.1 36.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 3.1 p-10 -162.56 105.0 1.07 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.76 170.4 58.66 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.308 -0.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 555' ' ' CYS . 73.6 t -97.09 128.02 36.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.675 0.75 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.501 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.76 164.93 32.7 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 562' ' ' VAL . 88.6 mt -96.84 -70.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.501 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.2 t -36.56 -39.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 566' ' ' ILE . 7.9 tpt180 -78.0 -46.24 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.52 -57.53 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.92 21.09 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.0 tp -51.0 -46.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.521 ' N ' HG23 ' A' ' 566' ' ' ILE . 1.3 m120 -48.14 -50.52 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -58.22 -54.64 44.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.8 mtp -49.29 -52.02 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.12 -53.75 25.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 87.7 mt -49.3 -44.37 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 64.9 mt -56.46 -50.66 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.622 HG21 ' O ' ' A' ' 545' ' ' PRO . 23.6 mm -53.88 -39.44 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.72 -33.66 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.04 -35.7 81.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -81.87 -36.63 28.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -74.99 -30.69 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.46 -42.15 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.44 ' SD ' HG21 ' A' ' 508' ' ' THR . 19.3 ptm -71.95 144.71 88.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.67 41.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 581' ' ' LEU . 1.2 mm? -83.3 98.59 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -43.66 -53.67 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -71.94 144.09 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 1.8 m -41.14 132.79 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -164.64 158.81 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 9.2 p -172.58 148.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -157.14 124.56 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -127.83 82.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -151.88 71.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 35.0 m -133.6 142.35 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -174.39 145.66 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -163.6 125.05 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 37.0 m -123.8 128.84 50.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 6.8 t -169.2 123.03 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 148.32 97.03 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.31 57.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 67.7 m -123.66 118.29 26.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 6.0 t -174.99 159.94 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 61.7 m -112.42 91.02 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 4.3 m -38.67 146.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 480' ' ' SER . . . 126.04 -49.41 0.92 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 481' ' ' SER . 37.5 m -36.99 -43.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 480' ' ' SER . 57.9 m -35.87 -46.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -141.26 142.39 12.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 484' ' ' PRO . 2.5 ttmp? -153.26 139.52 12.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 483' ' ' LYS . 53.5 Cg_endo -69.76 113.2 3.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.23 . . . . 0.0 112.347 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 70.4 mt -122.87 150.67 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.759 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 12.0 m-85 -80.05 45.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 487' ' ' THR . 15.3 t -91.1 39.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.96 154.75 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.94 -51.4 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.6 t -131.56 79.25 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -99.15 153.56 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.86 -49.82 9.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -38.86 -33.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.401 HD21 ' HZ ' ' A' ' 510' ' ' PHE . 35.1 tp -91.62 -44.87 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.519 ' CD2' ' HG3' ' A' ' 496' ' ' ARG . 44.7 t80 -58.47 -58.74 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.519 ' HG3' ' CD2' ' A' ' 495' ' ' TYR . 32.9 mtp180 -88.03 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -93.17 -56.24 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.28 149.58 38.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.26 -51.98 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -64.36 170.32 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -130.56 157.91 41.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 1.002 HD22 ' HB3' ' A' ' 506' ' ' GLN . 38.0 mt -100.37 163.06 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . 0.45 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.5 m-80 -125.89 -71.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.404 ' CG2' ' HE1' ' A' ' 579' ' ' MET . 91.1 m -135.01 -73.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.46 -60.4 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . 1.002 ' HB3' HD22 ' A' ' 502' ' ' LEU . 49.3 mt-30 -41.52 -42.31 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 503' ' ' ASN . 21.4 mt -65.22 -53.37 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.42 ' HB ' ' HB1' ' A' ' 576' ' ' ALA . 13.4 m -46.92 -45.87 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -66.79 -48.04 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.401 ' HZ ' HD21 ' A' ' 494' ' ' LEU . 58.9 t80 -50.6 -44.56 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -65.45 -52.57 52.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 81.8 mt -48.05 -48.76 33.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 85.8 mt -60.54 -46.05 91.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.759 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 47.3 t80 -49.06 -48.05 44.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -53.27 -42.18 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -58.08 -59.08 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 4.2 t0 -54.06 -48.83 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -57.45 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 5.1 m -51.15 -39.06 55.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.11 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.63 -58.8 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -52.26 -39.5 60.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -76.89 -25.74 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 61.26 45.53 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.14 173.16 11.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.5 t -59.85 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -49.97 -49.38 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.46 -53.24 42.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -41.14 -57.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.697 ' HA ' HD12 ' A' ' 561' ' ' LEU . 80.1 t -41.24 -60.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 14.8 tp -163.7 119.14 1.12 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.487 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.6 Cg_endo -69.72 176.24 7.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -73.84 -62.46 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.487 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 12.6 p80 -38.33 -49.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 44.2 tpp -64.42 -59.5 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 10.1 ttp -38.56 -57.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 23.6 mt -57.89 -50.34 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 554' ' ' CYS . 35.9 tttm -43.94 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.85 -58.57 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.85 -39.32 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -71.97 -45.6 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.46 -46.65 73.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 541' ' ' ALA . 40.6 mt 62.8 55.01 2.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.8 123.41 10.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.3 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.485 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 19.1 ptmt -69.51 -41.7 75.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -93.3 161.85 29.74 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.56 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -78.31 -43.96 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -53.75 -32.79 48.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -71.2 -33.07 49.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.685 ' CG2' HG21 ' A' ' 558' ' ' VAL . 49.8 mt -77.26 -38.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.34 51.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 539' ' ' LYS . 2.3 m -60.42 -65.61 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.509 ' HB2' HG22 ' A' ' 558' ' ' VAL . 41.2 m -62.08 126.55 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 1.2 p30 -155.09 105.11 2.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.78 171.33 54.28 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.344 -0.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.685 HG21 ' CG2' ' A' ' 552' ' ' ILE . 88.2 t -95.32 135.15 23.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.64 0.733 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.532 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.4 Cg_endo -69.69 162.85 40.45 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.3 20.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 531' ' ' VAL . 73.4 mt -95.9 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.6 HG13 ' SD ' ' A' ' 569' ' ' MET . 87.2 t -39.67 -35.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -77.45 -44.65 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -89.37 28.81 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.7 tp -55.21 -40.44 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -55.61 -46.11 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -61.09 -49.64 76.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.6 ' SD ' HG13 ' A' ' 562' ' ' VAL . 44.5 mtp -53.73 -49.75 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 2.9 t-160 -54.88 -43.52 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.81 -47.37 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 58.5 mt -54.25 -55.42 28.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.24 -47.5 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.5 mm-40 -57.53 -38.78 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.42 ' HB1' ' HB ' ' A' ' 508' ' ' THR . . . -63.2 -42.12 99.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 578' ' ' GLU . 54.4 mtp180 -69.59 -41.56 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 577' ' ' ARG . 36.8 mm-40 -36.73 -48.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.404 ' HE1' ' CG2' ' A' ' 504' ' ' THR . 8.2 ptm -75.18 147.64 83.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.85 3.18 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.44 103.9 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.67 -42.76 93.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -75.27 145.75 41.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 68.8 p -104.13 84.04 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.93 103.95 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.7 p -92.23 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -163.68 142.34 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -117.31 135.52 53.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 144.63 48.04 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 32.9 m -137.87 143.02 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt 56.61 41.8 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -42.22 146.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 9.4 t -55.24 167.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 12.3 t -132.93 134.67 44.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -91.45 -76.37 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 146.2 59.5 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 97.1 p -154.31 176.54 12.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 95.9 p -167.78 170.99 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 27.1 t -45.87 99.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 26.1 t -91.68 82.95 5.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 51.59 -174.76 0.13 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 11.4 m -106.67 94.05 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 2.8 m -135.3 139.95 44.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -61.05 -73.34 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -170.43 153.7 4.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.14 62.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 53.1 mt -94.83 89.34 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.635 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 0.9 OUTLIER -122.91 59.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 488' ' ' ASP . 25.9 m -90.88 139.64 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 487' ' ' THR . 2.4 t70 -34.85 -40.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.64 93.78 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 82.1 p -88.22 164.51 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 493' ' ' GLU . 2.3 t80 -50.43 122.33 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 493' ' ' GLU . 0.0 OUTLIER -37.62 -27.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.994 ' N ' HD13 ' A' ' 492' ' ' LEU . 26.0 tt0 -41.95 -40.31 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 495' ' ' TYR . 19.2 tp -71.6 -54.47 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.673 ' CE1' HD21 ' A' ' 507' ' ' LEU . 0.9 OUTLIER -34.48 -64.26 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -110.79 82.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -118.09 99.86 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.47 38.13 29.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -155.72 132.17 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 501' ' ' HIS . 11.5 tppt? -40.55 153.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.406 ' N ' ' HG3' ' A' ' 500' ' ' LYS . 2.4 p-80 -64.15 129.36 39.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 31.9 mt -78.49 158.88 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -91.67 -178.47 5.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.427 ' HB ' HD23 ' A' ' 581' ' ' LEU . 72.2 m -51.1 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -48.13 -62.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -38.4 -58.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.673 HD21 ' CE1' ' A' ' 495' ' ' TYR . 31.7 mt -51.46 -54.15 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 22.9 m -46.05 -47.63 16.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.14 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -56.52 -45.13 81.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -62.38 -48.38 80.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.9 -54.97 35.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 68.6 mt -51.42 -49.66 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 22.4 t80 -50.95 -59.5 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -48.73 -52.46 23.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -56.11 -43.62 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -52.38 -47.82 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.423 ' HB2' ' CE1' ' A' ' 486' ' ' PHE . 8.7 t0 -62.06 -44.79 95.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -63.63 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.774 HG23 ' OE2' ' A' ' 524' ' ' GLU . 98.8 m -53.04 -34.29 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.54 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -71.56 -40.17 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.93 -40.13 32.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.774 ' OE2' HG23 ' A' ' 520' ' ' THR . 0.1 OUTLIER -71.19 -33.39 69.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.73 38.49 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -119.38 176.39 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.1 m -61.93 134.01 56.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -52.15 -59.76 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -50.52 -46.89 45.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -45.71 -43.21 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 561' ' ' LEU . 96.3 t -57.59 -66.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 22.4 tp -152.52 117.07 2.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.496 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.8 Cg_endo -69.75 175.06 8.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -72.71 -58.15 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.496 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 9.4 p80 -43.94 -45.25 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 47.9 ttm -69.49 -53.19 20.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.1 ttm -47.89 -45.24 30.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.37 -55.09 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -40.71 -51.41 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.584 HD11 ' SG ' ' A' ' 554' ' ' CYS . 41.6 mt -67.17 -54.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -46.96 -38.77 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -79.19 -40.39 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -58.97 -50.33 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.1 mt 59.1 52.11 3.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.738 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.674 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.9 Cg_endo -69.71 128.01 15.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -67.29 -46.45 73.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -84.56 160.52 56.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.531 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -13.27 34.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -69.55 -45.74 68.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -53.98 -20.35 13.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.0 mp -88.31 -24.15 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.623 HG23 HG21 ' A' ' 558' ' ' VAL . 41.1 mt -85.77 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.12 91.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -44.4 -38.14 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.2 p -102.76 140.39 37.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 0.3 OUTLIER -163.39 109.42 0.99 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 110.886 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.79 172.49 48.87 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.351 -0.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.623 HG21 HG23 ' A' ' 552' ' ' ILE . 54.7 t -95.94 135.88 22.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 558' ' ' VAL . 54.3 Cg_endo -69.73 162.76 40.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -4.24 13.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 531' ' ' VAL . 81.9 mt -99.47 -68.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.91 -36.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -77.45 -41.64 38.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.97 -54.06 31.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -93.6 22.34 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.437 HD11 ' HB ' ' A' ' 551' ' ' ILE . 6.9 tp -50.4 -40.61 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 566' ' ' ILE . 32.1 m120 -55.26 -51.38 66.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.04 -51.05 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 43.0 mtp -51.55 -50.17 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.85 -47.31 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.71 -46.85 70.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.3 mt -55.4 -53.36 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.674 HG21 ' O ' ' A' ' 545' ' ' PRO . 43.8 mm -50.59 -41.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -70.07 -28.13 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -85.93 -27.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -85.78 -43.34 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -43.5 -38.89 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -81.39 142.23 50.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -173.55 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.427 HD23 ' HB ' ' A' ' 504' ' ' THR . 26.8 mt -100.85 109.79 21.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.965 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.427 ' H ' HG21 ' A' ' 504' ' ' THR . 31.9 mt -83.47 86.78 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -122.73 161.66 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 72.1 p -54.32 -18.09 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -140.9 110.29 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.23 151.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -129.57 155.58 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -142.17 132.6 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 49.96 101.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 591' ' ' LYS . 12.9 p -96.21 -51.01 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.617 ' N ' HG13 ' A' ' 590' ' ' VAL . 31.4 mtpt -150.03 131.84 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -107.5 102.94 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 36.6 t -69.4 109.69 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 4.4 t -156.1 135.49 12.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -168.11 84.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.15 13.21 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.0 m -100.04 176.3 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 92.2 p -166.17 146.85 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.454 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.5 t -105.35 42.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 50.9 m -98.16 83.44 3.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 82.43 72.46 1.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.532 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 55.7 p -98.07 40.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 40.8 t -127.76 108.99 11.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -101.27 -129.31 6.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . 0.494 ' CD ' ' HD2' ' A' ' 484' ' ' PRO . 2.3 tppp? -169.97 136.87 1.35 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.494 ' HD2' ' CD ' ' A' ' 483' ' ' LYS . 53.9 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.349 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 26.0 mt -97.55 87.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.421 ' CE2' ' OD1' ' A' ' 518' ' ' ASP . 0.9 OUTLIER -127.09 59.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 3.5 m -117.73 43.79 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.2 43.19 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -105.64 127.1 52.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 20.6 m -116.12 112.57 21.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -64.14 158.28 23.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 495' ' ' TYR . 9.9 mp -85.02 -55.57 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 492' ' ' LEU . 33.8 tp10 -35.72 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 510' ' ' PHE . 0.6 OUTLIER -88.91 -39.92 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 492' ' ' LEU . 1.4 t80 -64.47 -58.22 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -97.0 45.07 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -77.38 82.78 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 48.96 41.01 18.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -138.1 138.46 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -41.14 137.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -57.71 146.92 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 542' ' ' GLU . 85.1 mt -87.14 155.25 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . 0.526 ' OD1' HD22 ' A' ' 581' ' ' LEU . 3.8 t-20 -87.23 178.88 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.669 HG21 ' H ' ' A' ' 582' ' ' LEU . 32.7 m -53.35 -63.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.23 -49.83 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -49.37 -51.7 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.61 -50.38 70.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 16.9 m -49.45 -42.33 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.45 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.488 ' CZ ' HD11 ' A' ' 494' ' ' LEU . 48.3 t80 -50.69 -43.72 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -62.86 -49.15 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 52.9 mt -56.83 -52.19 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.25 -59.15 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 6.3 t80 -39.46 -49.83 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.5 77.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 568' ' ' GLU . 49.8 t90 -58.27 -60.23 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -44.73 -50.53 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.421 ' OD1' ' CE2' ' A' ' 486' ' ' PHE . 23.4 t0 -60.4 -38.21 83.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -61.92 -57.6 11.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.407 HG22 ' HG2' ' A' ' 524' ' ' GLU . 24.4 m -59.46 -31.5 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 518' ' ' ASP . . . -44.48 -48.22 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.0 -63.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -40.75 -44.67 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.407 ' HG2' HG22 ' A' ' 520' ' ' THR . 69.8 mm-40 -78.32 -34.38 48.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 17.7 t0 69.85 43.46 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -127.82 169.18 14.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.9 t -64.81 139.57 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -43.19 -45.11 5.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -51.42 -69.94 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 529' ' ' GLY . 15.7 t80 -34.41 -58.62 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 58.4 t -44.93 -61.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 533' ' ' PRO . 25.1 tp -160.68 119.2 1.52 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.81 167.24 25.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -69.86 -59.98 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 536' ' ' MET . 12.1 p-80 -41.75 -47.12 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.531 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 38.2 ttm -63.89 -54.21 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 22.9 ttp -48.4 -58.22 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 21.9 mt -50.54 -57.5 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -42.88 -46.35 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 74.0 mt -69.03 -53.85 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -50.58 -36.22 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 42.7 mt-10 -80.55 -44.02 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -56.05 -48.37 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.468 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.2 mt 62.98 52.65 1.66 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.549 0.69 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -53.13 -29.29 30.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.46 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 6.3 mt-10 -97.63 157.84 34.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.9 Cg_endo -69.77 -20.84 34.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -64.33 -48.31 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.08 23.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -75.54 -21.41 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 558' ' ' VAL . 59.8 mt -90.09 -37.47 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.23 81.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 22.5 p -45.05 -36.63 3.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 1.5 p -102.13 133.28 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.4 t30 -157.5 110.74 1.84 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.1 Cg_endo -69.72 172.44 48.82 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.352 -0.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.615 HG21 HG23 ' A' ' 552' ' ' ILE . 50.9 t -95.89 134.95 23.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.496 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.74 160.11 50.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.37 11.88 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 96.7 mt -96.32 -74.33 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.701 HG13 ' SD ' ' A' ' 569' ' ' MET . 80.4 t -37.78 -38.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.477 ' NH1' HG21 ' A' ' 552' ' ' ILE . 12.3 tpt180 -72.56 -42.42 64.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 561' ' ' LEU . 11.9 tt0 -65.75 -48.96 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -99.62 24.54 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.25 -34.81 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -60.62 -48.72 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.549 ' HG2' ' CD1' ' A' ' 516' ' ' TRP . 3.3 tp10 -60.63 -51.44 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.701 ' SD ' HG13 ' A' ' 562' ' ' VAL . 45.9 mtp -51.94 -53.18 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.1 t-160 -51.27 -48.56 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 83.6 mt -52.72 -45.18 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.38 -47.97 80.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.466 HG21 ' O ' ' A' ' 545' ' ' PRO . 48.2 mm -55.3 -40.23 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -67.86 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . . . . . . . . . . . -68.17 -42.06 80.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -71.13 -40.2 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -39.86 -50.82 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 13.5 ptm -70.99 147.42 93.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.53 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.526 HD22 ' OD1' ' A' ' 503' ' ' ASN . 11.1 mt -102.53 115.79 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.669 ' H ' HG21 ' A' ' 504' ' ' THR . 53.8 mt -80.34 173.76 12.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -47.91 157.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.9 p -166.66 169.48 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -104.94 87.66 2.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 11.3 p -168.58 131.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -114.3 101.9 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -92.61 161.04 14.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 179.33 54.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 34.4 m -152.11 130.18 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.99 122.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -96.83 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 59.8 m -100.51 -52.85 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 77.8 p -172.6 161.76 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -106.3 140.81 15.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 109.75 2.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 39.4 m -95.24 171.49 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 66.6 m -150.6 128.94 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 91.8 p -64.39 -50.01 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 63.6 m -83.76 107.63 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -108.95 -161.62 19.98 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 40.6 t -128.65 158.76 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.83 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.3 m -88.09 -48.22 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 98.86 -93.96 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.34 21.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 104.0 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 52.9 mt -79.14 108.82 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.529 ' CG ' ' OD2' ' A' ' 518' ' ' ASP . 1.9 t80 -116.91 81.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 12.4 t -112.79 155.38 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.59 -45.38 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.54 128.5 36.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 97.5 p -79.88 161.02 25.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -86.64 160.29 18.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 495' ' ' TYR . 3.8 mm? -73.07 -60.0 2.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -39.46 -37.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.478 HD21 ' HZ ' ' A' ' 510' ' ' PHE . 22.1 tp -67.6 -39.56 84.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 492' ' ' LEU . 11.2 t80 -66.77 -44.26 81.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -102.73 51.02 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -90.24 45.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 69.6 43.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . 0.469 ' HE2' HD13 ' A' ' 538' ' ' LEU . 18.1 mmmt -136.38 131.72 34.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -45.77 139.15 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -49.63 135.53 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 60.5 mt -88.19 164.73 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -90.03 167.24 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 31.7 m -47.07 -58.17 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.09 -58.02 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -42.83 -48.73 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 495' ' ' TYR . 80.7 mt -57.11 -46.95 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.488 HG21 ' HA ' ' A' ' 576' ' ' ALA . 90.7 m -52.84 -49.17 66.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.23 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.478 ' HZ ' HD21 ' A' ' 494' ' ' LEU . 50.9 t80 -54.19 -46.47 72.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -63.95 -50.84 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 42.3 mt -50.99 -51.24 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.77 -54.03 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.5 -60.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.37 64.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -54.9 -54.5 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.75 -50.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.529 ' OD2' ' CG ' ' A' ' 486' ' ' PHE . 31.6 t0 -57.99 -43.36 86.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -63.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 521' ' ' ALA . 57.7 m -56.21 -46.62 79.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -34.31 -53.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -58.72 -60.23 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 25.2 mmm-85 -46.36 -44.92 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.2 -28.14 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 20.3 t70 63.78 41.76 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 3.6 tp10 -128.59 162.42 27.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 13.1 t -63.35 140.6 58.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -48.87 -58.24 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -39.29 -42.55 1.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.563 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 66.5 t80 -66.41 -49.36 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 93.0 t -58.46 -64.76 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.435 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 17.2 tp -158.95 105.01 1.57 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.638 0.732 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.2 Cg_endo -69.75 173.71 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 535' ' ' HIS . 0.1 OUTLIER -62.86 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.645 ' CG ' ' N ' ' A' ' 536' ' ' MET . 8.8 p-80 -36.08 -54.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.645 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 33.8 ttm -57.33 -61.08 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 17.5 ttp -43.5 -50.91 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . 0.469 HD13 ' HE2' ' A' ' 499' ' ' LYS . 31.9 mt -58.9 -56.71 18.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -39.7 -57.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.21 -57.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.443 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -42.19 -40.37 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.88 -40.83 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.0 -47.31 81.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.5 mt 58.1 51.34 4.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.626 ' O ' HG21 ' A' ' 573' ' ' ILE . 53.6 Cg_endo -69.76 114.71 3.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.544 ' O ' ' CD2' ' A' ' 570' ' ' HIS . 17.6 ptmt -55.86 -41.13 73.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -93.23 161.36 31.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.751 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.522 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.7 Cg_endo -69.69 -22.59 32.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -66.76 -37.57 84.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.19 -31.36 73.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 4.4 mp -74.46 -33.73 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.579 ' CG2' HG21 ' A' ' 558' ' ' VAL . 47.2 mt -75.45 -36.2 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.1 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.48 -60.34 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.478 ' HB2' HG22 ' A' ' 558' ' ' VAL . 33.2 m -62.66 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 19.0 t-20 -154.53 104.97 2.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 110.884 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.0 Cg_endo -69.75 171.6 52.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.367 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.579 HG21 ' CG2' ' A' ' 552' ' ' ILE . 83.6 t -96.07 125.65 47.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.46 38.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -7.86 22.11 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.708 2.272 . . . . 0.0 112.292 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 531' ' ' VAL . 92.2 mt -88.74 -73.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 569' ' ' MET . 88.8 t -39.29 -39.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.14 -42.67 62.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -68.87 -59.97 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -84.54 24.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 567' ' ' ASN . 7.1 tp -55.38 -47.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.529 ' N ' HG23 ' A' ' 566' ' ' ILE . 45.6 m-80 -46.06 -47.67 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.2 -52.5 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 562' ' ' VAL . 55.6 mtp -51.77 -50.68 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 3.6 t-160 -52.82 -49.08 66.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 80.0 mt -51.85 -47.72 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.69 -46.79 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.626 HG21 ' O ' ' A' ' 545' ' ' PRO . 22.1 mm -57.2 -41.38 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 6.3 mm-40 -66.67 -34.28 77.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -66.25 -42.3 88.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.488 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -63.85 -45.02 91.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 577' ' ' ARG . 15.0 mtp-105 -71.12 -42.89 68.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -38.48 -49.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 10.1 ptm -75.41 147.73 82.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 173.79 10.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 10.8 mt -89.45 15.89 8.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 42.4 mt 38.1 40.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -49.16 165.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 94.6 p -40.2 -49.44 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.58 83.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.75 145.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 588' ' ' ALA . . . -45.91 171.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 587' ' ' ALA . . . -35.4 139.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 151.84 87.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.67 144.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -49.0 148.86 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -63.5 102.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 1.8 m -51.76 157.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 18.5 t -152.71 122.49 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -120.53 88.59 0.43 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.11 8.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 58.8 p -170.37 166.45 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 77.9 p -119.8 152.53 37.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 46.8 m -104.37 142.32 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 95.2 p -165.66 112.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -105.65 127.28 8.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 28.4 p -161.52 131.05 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 3.1 m -168.83 173.19 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 91.39 -43.47 2.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 150.51 37.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 93.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 43.6 mt -105.88 93.45 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.19 -39.45 4.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.53 HG23 ' OG ' ' A' ' 490' ' ' SER . 95.0 m -51.96 98.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.01 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -106.5 43.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.53 ' OG ' HG23 ' A' ' 487' ' ' THR . 21.4 p -125.14 172.3 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 493' ' ' GLU . 0.3 OUTLIER -174.29 125.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 492' ' ' LEU . 0.7 OUTLIER -34.35 -34.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 491' ' ' TYR . 25.4 tt0 -41.26 -53.82 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.717 HD11 ' CZ ' ' A' ' 510' ' ' PHE . 0.6 OUTLIER -49.07 -34.27 13.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 492' ' ' LEU . 11.8 t80 -75.74 -30.3 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -112.63 57.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 498' ' ' GLN . 2.0 tptm -116.33 -173.16 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 499' ' ' LYS . 78.2 mt-30 -34.33 -58.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 498' ' ' GLN . 4.6 mtmp? -34.21 116.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 499' ' ' LYS . 30.1 mtpt -35.37 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -171.75 174.15 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 78.5 mt -111.83 150.07 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 504' ' ' THR . 32.0 m-20 -91.37 155.64 18.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 503' ' ' ASN . 55.9 m -34.55 -61.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -56.88 -49.39 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -50.92 -40.81 57.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.04 -52.37 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 55.8 m -49.66 -46.42 49.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -68.25 -46.07 71.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.717 ' CZ ' HD11 ' A' ' 494' ' ' LEU . 21.2 t80 -48.45 -40.49 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.73 -47.14 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.92 -44.52 78.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.96 -53.33 32.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 4.9 t80 -45.59 -49.75 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -59.39 -58.83 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -49.37 -55.79 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -44.59 -54.45 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.6 -26.68 63.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -66.22 -49.63 66.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 96.9 m -67.13 -35.25 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -39.3 -40.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -54.75 -63.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -55.93 -37.34 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.457 ' OE1' HD21 ' A' ' 561' ' ' LEU . 5.3 mm-40 -71.58 -27.83 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 524' ' ' GLU . 0.4 OUTLIER 48.05 50.8 15.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 524' ' ' GLU . 2.0 mp0 -146.56 172.68 13.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.5 m -59.11 137.76 57.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 529' ' ' GLY . 25.9 m-85 -48.0 -57.18 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 528' ' ' TYR . . . -37.69 -55.13 1.76 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.05 -45.28 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.6 -64.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 537' ' ' MET . 14.5 tp -159.53 122.72 1.98 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.8 Cg_endo -69.71 168.58 21.07 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -69.79 -62.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 536' ' ' MET . 11.0 p-80 -40.31 -52.14 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.585 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 18.7 ttm -60.52 -63.08 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 536' ' ' MET . 41.5 ttp -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.51 -51.23 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -41.18 -43.24 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.527 HD11 ' SG ' ' A' ' 554' ' ' CYS . 21.9 mt -73.41 -47.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -56.12 -31.96 63.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.65 -45.88 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -57.07 -43.94 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.452 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 50.8 mt 56.76 53.31 6.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.463 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 54.0 Cg_endo -69.72 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.459 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 6.9 ptpp? -52.56 -51.95 57.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.427 ' CD ' ' HD2' ' A' ' 548' ' ' PRO . 3.6 mm-40 -78.75 159.76 73.31 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.685 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.8 Cg_endo -69.77 -19.59 35.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.89 -46.66 88.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -54.83 -21.18 22.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -85.22 -24.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 55.6 mt -85.62 -51.14 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.98 -27.71 53.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.527 ' SG ' HD11 ' A' ' 540' ' ' ILE . 3.1 p -51.72 -32.79 31.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.637 ' HB3' HG22 ' A' ' 558' ' ' VAL . 6.1 t -107.39 152.94 23.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.3 t30 -168.35 108.42 0.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 110.91 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.78 174.68 39.64 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.343 -0.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 555' ' ' CYS . 90.5 t -109.5 127.05 27.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.78 27.14 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.737 2.291 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.457 HD21 ' OE1' ' A' ' 524' ' ' GLU . 59.1 mt -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.28 -34.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 566' ' ' ILE . 11.8 tpt180 -83.39 -46.6 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.96 -54.22 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.09 14.3 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.563 HD11 ' HB ' ' A' ' 551' ' ' ILE . 3.6 tp -49.03 -40.92 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.447 ' N ' HG23 ' A' ' 566' ' ' ILE . 11.7 m120 -54.14 -49.94 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 571' ' ' LEU . 5.1 tp10 -58.59 -53.34 59.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 45.1 mtp -50.08 -52.62 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -50.9 -49.74 58.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 568' ' ' GLU . 57.2 mt -51.33 -49.52 61.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 35.6 mt -52.5 -56.28 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 35.6 mm -48.9 -42.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 11.7 mm-40 -68.59 -30.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -72.13 -26.58 62.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.11 -31.01 27.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 577' ' ' ARG . 11.6 mtp-105 -84.42 -38.54 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 577' ' ' ARG . 8.0 pt-20 -36.91 -40.09 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.78 143.51 43.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.604 0.716 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.443 HD23 ' HB ' ' A' ' 504' ' ' THR . 12.0 mt -108.16 102.63 11.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.467 ' CD2' ' H ' ' A' ' 582' ' ' LEU . 2.9 mm? -43.85 113.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.02 143.92 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.0 t -40.03 -53.93 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -57.87 108.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.64 138.39 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -118.22 89.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -62.52 168.94 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -83.7 137.61 16.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 35.8 m -49.52 147.54 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -132.47 122.44 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 160.56 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 48.1 p -48.25 114.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 83.4 p -166.62 134.16 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -167.45 83.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 597' ' ' SER . 54.0 Cg_endo -69.76 -47.87 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 596' ' ' PRO . 88.2 p 34.67 44.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 53.8 p -122.36 159.42 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 11.2 m -83.11 43.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 23.8 t -40.37 116.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 79.36 108.26 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 80.8 p -173.24 129.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 32.1 t -104.92 137.98 41.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -149.34 120.21 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -55.39 159.57 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.575 0.703 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 28.5 mm -111.69 135.78 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.719 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 45.5 t80 -111.17 -32.82 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 4.9 t -160.0 147.59 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.85 53.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 58.65 36.7 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 94.8 p -127.43 114.16 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.94 -35.91 4.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 9.1 mp -92.21 -17.54 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -56.1 -37.04 68.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.777 HD23 ' H ' ' A' ' 494' ' ' LEU . 0.6 OUTLIER -88.74 -32.3 17.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.55 -58.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 497' ' ' LYS . 0.2 OUTLIER -49.46 -54.41 17.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 496' ' ' ARG . 24.1 mttp -34.79 -54.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -48.53 122.23 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -46.42 -57.44 4.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -77.94 160.19 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -101.21 168.69 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 538' ' ' LEU . 92.9 mt -113.8 148.59 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -91.75 171.08 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 29.0 m -44.19 -63.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -51.72 -59.03 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -43.5 -49.5 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.39 -50.07 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.8 m -55.21 -53.97 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -54.95 -43.97 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -52.4 -53.03 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.46 -53.28 56.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.86 -47.94 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 514' ' ' PHE . 89.5 mt -59.88 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.719 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 8.5 t80 -34.78 -61.35 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.63 -51.64 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -53.62 -51.54 62.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -47.34 -51.42 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 33.2 t0 -61.23 -46.59 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 520' ' ' THR . 1.0 OUTLIER -50.42 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 79.5 m -59.05 -40.59 85.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -44.13 -43.55 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 522' ' ' ARG . 4.3 tmt_? -68.81 -54.31 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -49.87 -43.74 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.11 -34.33 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 8.2 t0 70.92 42.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -126.56 170.45 12.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 97.4 p -59.12 133.92 56.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 486' ' ' PHE . 65.1 m-85 -53.27 -42.62 66.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.26 55.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -48.35 -57.79 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 561' ' ' LEU . 98.2 t -43.41 -62.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 15.2 tp -159.57 118.77 1.67 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 54.2 Cg_endo -69.7 173.41 10.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.759 2.306 . . . . 0.0 112.341 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -70.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 533' ' ' PRO . 5.1 p80 -40.09 -54.72 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.435 ' CB ' ' HG2' ' A' ' 533' ' ' PRO . 43.9 ttm -57.67 -58.52 7.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 536' ' ' MET . 13.5 ttp -36.76 -51.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . 0.561 ' CD2' HD11 ' A' ' 502' ' ' LEU . 29.3 mt -61.58 -57.54 11.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -37.84 -42.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.434 HD11 ' SG ' ' A' ' 554' ' ' CYS . 67.9 mt -70.98 -56.27 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -49.95 -36.74 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 502' ' ' LEU . 61.8 mt-10 -74.7 -38.96 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.6 -45.6 86.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.457 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 39.9 mt 55.18 52.9 8.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.468 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.8 Cg_endo -69.71 104.06 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -47.57 -31.2 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.452 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 12.5 mt-10 -95.99 157.8 35.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.779 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.73 -26.78 27.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.87 -43.39 94.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -55.16 -23.17 31.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.779 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -82.92 -21.41 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.98 -46.81 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.55 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 540' ' ' ILE . 11.9 p -52.08 -41.57 62.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.991 ' HB3' HG22 ' A' ' 558' ' ' VAL . 3.7 t -94.06 147.63 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 16.1 p30 -166.69 104.99 0.66 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.5 Cg_endo -69.79 176.87 30.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.329 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 555' ' ' CYS . 91.9 t -112.18 128.91 24.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 562' ' ' VAL . 54.2 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.9 30.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 531' ' ' VAL . 96.3 mt -70.63 -63.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 559' ' ' PRO . 92.5 t -44.98 -37.91 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 566' ' ' ILE . 21.9 tpt85 -81.74 -41.26 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -59.47 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -92.86 23.77 4.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 563' ' ' ARG . 5.8 tp -53.37 -41.18 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 566' ' ' ILE . 10.7 m-20 -53.93 -50.28 66.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.68 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 55.1 mtp -50.45 -52.45 37.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.6 t-160 -49.87 -50.58 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.42 -44.83 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.6 -47.53 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 544' ' ' LEU . 50.3 mm -55.15 -46.26 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.88 -42.16 97.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -56.24 -46.11 79.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -60.78 -31.36 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -81.97 -30.62 31.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -46.09 -46.53 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.446 ' HE2' ' HB2' ' A' ' 579' ' ' MET . 4.1 ppp? -76.53 142.66 71.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 178.2 4.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 7.5 mt -109.12 111.44 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 12.3 mt -89.31 146.5 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -137.01 174.8 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 53.0 m -131.59 -54.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -123.9 155.95 37.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 9.6 p -100.3 141.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -137.21 139.15 40.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -164.51 173.04 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -136.6 -133.25 3.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.28 170.67 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -139.59 109.0 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -169.33 160.56 9.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 2.0 m 69.06 54.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 89.8 p -102.75 -30.73 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -148.28 -158.66 8.08 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 124.9 11.54 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 21.7 p -128.89 160.43 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 15.0 m -97.47 142.55 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 80.4 p -168.98 135.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 63.3 p -44.41 -58.74 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 143.03 -44.58 0.95 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 59.1 p -100.35 -30.07 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 57.8 m -53.56 159.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 123.28 141.73 5.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . 0.467 ' N ' ' HE3' ' A' ' 483' ' ' LYS . 0.0 OUTLIER -76.96 161.18 74.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.701 . . . . 0.0 110.892 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.321 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.689 ' H ' HD12 ' A' ' 485' ' ' ILE . 4.1 mp -76.49 159.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 518' ' ' ASP . 9.4 t80 -96.67 -43.23 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 6.5 t -73.7 -25.21 60.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.63 -53.54 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.92 137.02 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 95.1 p -91.47 131.58 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 491' ' ' TYR . 0.3 OUTLIER -82.65 37.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 492' ' ' LEU . 0.4 OUTLIER -93.56 -39.74 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.74 -54.35 20.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.559 HD11 ' HZ ' ' A' ' 510' ' ' PHE . 0.9 OUTLIER -51.26 -39.45 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.532 ' CD2' ' HG2' ' A' ' 496' ' ' ARG . 9.9 t80 -65.54 -56.81 10.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.532 ' HG2' ' CD2' ' A' ' 495' ' ' TYR . 17.0 mmt180 -85.62 45.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 498' ' ' GLN . 4.1 mmpt? -73.64 82.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 497' ' ' LYS . 9.9 mp0 34.28 41.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -135.16 166.64 22.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -62.4 162.82 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.35 147.51 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 64.2 mt -81.64 172.17 13.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -91.55 166.51 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.501 HG21 ' H ' ' A' ' 582' ' ' LEU . 8.9 m -44.3 -58.57 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -57.91 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -42.01 -47.05 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.66 -58.93 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 89.9 m -45.96 -52.23 12.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -58.85 -45.09 90.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.559 ' HZ ' HD11 ' A' ' 494' ' ' LEU . 42.5 t80 -55.89 -47.75 76.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.62 -44.44 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 572' ' ' LEU . 32.8 mt -60.39 -50.69 72.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.75 -45.77 85.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.416 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 30.9 t80 -51.41 -61.22 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.84 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -49.53 -50.15 43.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -50.32 -51.99 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 10.0 t70 -60.51 -48.53 81.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -59.99 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 91.0 m -56.94 -56.61 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -50.01 -28.74 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -76.15 -33.16 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -81.39 -46.18 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -27.59 63.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 64.92 45.15 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.75 178.84 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.3 t -59.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -59.59 -58.53 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -51.73 -42.24 52.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -46.84 -45.69 20.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.96 0.41 . . . . 0.0 110.927 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 561' ' ' LEU . 99.0 t -62.61 -64.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 12.8 tp -155.51 105.02 2.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 535' ' ' HIS . 53.7 Cg_endo -69.76 157.65 59.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -51.11 -54.11 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.637 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.3 p-80 -43.58 -53.78 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.808 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.637 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 35.3 tpp -64.2 -59.53 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 11.6 ttp -39.18 -48.4 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.68 -53.6 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -49.85 -43.25 48.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . . . . . . . . . 36.0 mt -70.63 -58.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -47.7 -45.14 28.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -69.12 -44.61 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.02 -53.35 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.515 ' HA ' HG23 ' A' ' 573' ' ' ILE . 65.9 mt 62.63 54.05 2.09 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.76 113.62 3.44 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 0.0 OUTLIER -54.19 -35.0 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 10.9 mt-10 -95.77 161.14 28.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.411 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.8 Cg_endo -69.74 -27.29 26.74 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -56.62 -44.88 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -52.27 -36.01 44.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 545' ' ' PRO . 5.0 mp -76.22 -23.35 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.448 ' CG2' HG21 ' A' ' 558' ' ' VAL . 51.8 mt -83.94 -41.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.94 68.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . . . . . . . . . 15.2 p -41.25 -35.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.529 ' HB2' HG22 ' A' ' 558' ' ' VAL . 59.9 m -93.19 134.81 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 28.5 t-20 -162.74 104.97 1.05 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 54.2 Cg_endo -69.8 172.17 50.41 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.351 -0.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 555' ' ' CYS . 84.7 t -98.15 126.4 40.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.02 28.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -4.4 13.91 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 564' ' ' GLN . 42.4 mt -93.02 -75.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 561' ' ' LEU . 84.8 t -36.29 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -76.52 -41.28 47.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 561' ' ' LEU . 33.3 tt0 -68.13 -54.73 15.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -85.8 18.31 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.418 HG12 HD11 ' A' ' 552' ' ' ILE . 4.4 tp -50.61 -38.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 566' ' ' ILE . 13.0 m120 -58.65 -49.51 77.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.8 -52.95 62.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.418 ' HE1' HD22 ' A' ' 532' ' ' LEU . 36.9 mmm -50.39 -57.52 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 7.3 t-160 -48.46 -46.08 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.4 mt -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 512' ' ' LEU . 42.4 mt -52.72 -48.44 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 544' ' ' LEU . 47.9 mm -55.99 -41.49 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 13.0 mm-40 -67.17 -29.02 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -71.26 -37.31 71.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -85.85 -21.34 28.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -88.15 -42.03 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -54.78 -42.6 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.22 141.49 86.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.55 2.39 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.1 mt -100.03 100.59 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.501 ' H ' HG21 ' A' ' 504' ' ' THR . 25.7 mt -78.13 -66.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -79.91 86.42 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -140.39 129.63 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.51 81.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 587' ' ' ALA . 10.9 p -172.77 140.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 586' ' ' VAL . . . 74.82 41.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 587' ' ' ALA . . . -36.62 124.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 60.54 90.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 592' ' ' LYS . 11.4 p -121.2 146.49 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.394 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 34.39 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 590' ' ' VAL . 32.2 mttm -69.36 167.53 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 66.4 m -123.01 106.04 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 75.2 m -136.12 160.53 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -149.57 115.26 0.71 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.36 60.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.4 t -63.67 -43.49 96.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 53.6 p 43.62 42.28 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 477' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 476' ' ' GLY . 82.4 p 35.85 42.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.863 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 74.1 m -158.87 118.77 3.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -76.62 -127.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 1.5 t -101.19 142.54 32.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.8 m -52.38 -58.64 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 483' ' ' LYS . . . -80.07 -164.78 30.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 482' ' ' GLY . 3.4 pptp? -38.19 150.41 0.19 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 136.7 33.77 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.736 2.29 . . . . 0.0 112.363 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 27.6 mt -73.83 -44.24 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 518' ' ' ASP . 4.2 t80 68.28 37.54 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 486' ' ' PHE . 55.0 m -33.6 144.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.9 177.31 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . 0.494 ' OE1' HD21 ' A' ' 492' ' ' LEU . 6.1 pt-20 -53.22 102.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 46.9 t -99.96 -35.63 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 493' ' ' GLU . 0.2 OUTLIER -88.24 28.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.917 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' A' ' 489' ' ' GLU . 11.7 mt -38.57 -25.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 491' ' ' TYR . 2.7 tp10 -37.69 -53.79 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 495' ' ' TYR . 1.4 pt? -44.86 -40.4 6.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.944 ' OH ' HD21 ' A' ' 507' ' ' LEU . 2.3 t80 -49.17 -41.51 36.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 496' ' ' ARG . 0.1 OUTLIER -113.3 17.32 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.415 ' HD2' ' CG ' ' A' ' 493' ' ' GLU . 22.0 tttm -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.624 ' CG ' HD13 ' A' ' 538' ' ' LEU . 11.4 mm-40 -68.33 -70.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -147.06 -175.3 4.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -46.2 171.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.97 173.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 31.3 mt -107.24 158.46 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -86.81 -178.0 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 25.7 m -55.48 -62.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.407 ' HB2' HD21 ' A' ' 581' ' ' LEU . 65.2 mt-30 -52.87 -57.9 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -41.17 -57.37 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.944 HD21 ' OH ' ' A' ' 495' ' ' TYR . 29.8 mt -49.36 -63.92 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.449 HG21 ' HA ' ' A' ' 576' ' ' ALA . 60.2 m -36.39 -45.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -70.53 -44.39 67.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -58.17 -49.19 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.04 -44.8 96.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 40.8 mt -57.16 -46.85 82.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.89 -50.41 56.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 514' ' ' PHE . 3.9 t80 -44.53 -51.92 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.76 75.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.07 -54.5 29.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' A' ' 528' ' ' TYR . 20.1 ttp180 -52.42 -56.31 15.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 486' ' ' PHE . 30.4 t0 -55.59 -32.64 63.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -70.18 -60.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . . . . . . . . . 45.9 m -55.79 -34.42 65.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -40.7 -43.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 522' ' ' ARG . 5.8 mmm180 -69.67 -53.6 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.14 -51.98 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.76 -28.67 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.3 46.06 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -126.0 167.27 15.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 47.6 m -60.68 135.47 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.413 ' HB3' ' NH2' ' A' ' 517' ' ' ARG . 33.1 m-85 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -47.28 -56.25 8.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -44.54 -44.5 8.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.461 ' HA ' ' CD1' ' A' ' 561' ' ' LEU . 74.9 t -58.99 -62.66 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 536' ' ' MET . 18.6 tp -157.86 118.44 1.95 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HG2' ' CB ' ' A' ' 536' ' ' MET . 53.6 Cg_endo -69.76 175.05 8.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -73.6 -64.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 536' ' ' MET . 9.1 p-80 -38.71 -43.27 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 555' ' ' CYS . 38.3 ttm -68.3 -57.57 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 23.0 ttp -49.06 -55.48 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 498' ' ' GLN . 19.7 mt -56.65 -53.56 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -43.49 -49.41 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.434 HD13 HG23 ' A' ' 551' ' ' ILE . 93.9 mt -67.77 -58.92 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -44.93 -35.18 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -85.25 -35.38 21.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.52 -48.5 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 46.8 mt 63.61 51.82 1.35 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.628 0.727 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 90.37 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 574' ' ' GLN . 0.2 OUTLIER -41.81 -29.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.455 ' N ' ' HG2' ' A' ' 546' ' ' LYS . 40.8 mt-10 -97.46 154.64 37.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.725 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.5 Cg_endo -69.74 -19.39 36.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -67.39 -46.05 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . . . . . . . . . . . -52.53 -26.75 24.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.1 mp -80.91 -21.38 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.602 HD11 HG12 ' A' ' 566' ' ' ILE . 58.9 mt -92.83 -35.37 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.11 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 540' ' ' ILE . 31.7 p -50.01 -29.74 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.493 ' HB3' ' CE ' ' A' ' 536' ' ' MET . 1.3 p -103.21 139.46 38.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 6.3 t-20 -157.07 107.82 1.91 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.617 0.722 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.6 Cg_endo -69.72 -179.19 18.42 Favored 'Cis proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 -0.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 559' ' ' PRO . 58.6 t -98.95 133.49 22.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.447 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.4 Cg_endo -69.78 156.62 62.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.01 11.15 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 564' ' ' GLN . 89.7 mt -98.9 -71.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.417 HG13 ' SD ' ' A' ' 569' ' ' MET . 69.5 t -37.77 -36.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -74.57 -40.79 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 561' ' ' LEU . 6.5 mt-30 -69.98 -53.93 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -90.85 22.08 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.602 HG12 HD11 ' A' ' 552' ' ' ILE . 6.1 tp -54.05 -39.33 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . 0.425 ' N ' HG23 ' A' ' 566' ' ' ILE . 15.2 m120 -54.95 -48.57 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.45 -55.72 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.417 ' SD ' HG13 ' A' ' 562' ' ' VAL . 39.3 mtp -48.75 -53.32 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -50.95 -49.71 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.19 -44.41 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.98 -53.2 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . . . . . . . . . 46.3 mm -50.97 -38.77 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 6.6 mm-40 -69.81 -33.23 72.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.74 -24.92 61.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.449 ' HA ' HG21 ' A' ' 508' ' ' THR . . . -86.6 -27.76 23.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 578' ' ' GLU . 44.8 mtp85 -86.65 -42.25 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 577' ' ' ARG . 11.2 pt-20 -36.76 -42.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -82.83 142.37 45.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.43 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 505' ' ' GLN . 13.3 mt -113.58 123.76 50.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 5.0 mp -95.66 93.46 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -143.54 166.61 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 1.3 t -42.36 142.96 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -50.16 157.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 10.7 p -168.62 143.33 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -55.88 98.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -165.79 134.44 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -80.02 96.33 1.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 59.5 t -118.69 134.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 111.104 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.54 171.55 17.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -125.16 171.76 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 5.0 t -111.03 167.47 10.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 32.6 t -136.2 149.69 48.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -108.03 124.4 7.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -173.23 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 2.2 m -137.24 170.68 15.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 15.3 t -67.31 -61.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 26.6 m -106.95 85.19 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 4.1 m -161.39 157.36 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 145.87 137.25 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 54.5 m -144.49 150.55 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 23.2 t -86.32 -57.84 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . -168.19 -168.09 29.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.537 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 138.88 28.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 164.03 36.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 50.2 mm -119.17 -36.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.78 ' CE2' ' CE2' ' A' ' 514' ' ' PHE . 27.2 m-85 -84.33 -32.2 24.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 488' ' ' ASP . 24.5 m -51.38 -48.8 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 487' ' ' THR . 4.2 m-20 -36.36 131.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -78.56 -14.19 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 32.7 t -101.64 133.18 46.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -112.81 -52.57 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 492' ' ' LEU . 0.6 OUTLIER -38.99 -48.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -45.24 -53.87 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.612 HD21 ' HZ ' ' A' ' 510' ' ' PHE . 13.7 tp -50.84 -49.46 58.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.579 ' CE1' HD21 ' A' ' 507' ' ' LEU . 6.9 t80 -59.73 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.536 ' HG2' ' CD2' ' A' ' 495' ' ' TYR . 12.1 mmm180 -84.66 49.51 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -85.5 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 500' ' ' LYS . 21.2 mp0 -104.21 142.95 33.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.46 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 498' ' ' GLN . 32.7 ttpt -64.49 116.65 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 538' ' ' LEU . 90.2 mt -86.73 153.27 21.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -94.63 -177.01 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.847 HG21 ' H ' ' A' ' 582' ' ' LEU . 52.2 m -52.63 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -55.62 -59.85 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -42.18 -58.71 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 495' ' ' TYR . 33.1 mt -48.73 -44.85 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.485 HG21 ' SD ' ' A' ' 579' ' ' MET . 24.0 m -53.62 -47.89 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.59 90.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.612 ' HZ ' HD21 ' A' ' 494' ' ' LEU . 90.5 t80 -52.58 -44.99 66.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -64.05 -50.86 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 576' ' ' ALA . 45.5 mt -54.26 -46.97 72.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 541' ' ' ALA . 83.9 mt -60.8 -48.54 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.78 ' CE2' ' CE2' ' A' ' 486' ' ' PHE . 39.4 t80 -47.65 -60.44 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.28 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . 0.514 ' CZ3' ' SD ' ' A' ' 569' ' ' MET . 39.9 t90 -58.9 -41.75 87.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 532' ' ' LEU . 34.1 ttt180 -54.28 -54.61 37.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.517 ' HB2' ' CE2' ' A' ' 486' ' ' PHE . 5.6 t70 -57.38 -38.44 74.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 520' ' ' THR . 5.3 tmmm? -58.02 -52.47 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.463 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 54.3 m -74.25 -21.28 59.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -76.55 -42.71 41.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -70.78 -34.17 71.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -75.76 -47.09 27.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 524' ' ' GLU . 0.0 OUTLIER -79.52 -7.85 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 41.64 52.49 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -124.83 171.26 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 m -59.96 131.47 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.6 49.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -57.28 -42.15 81.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 71.4 t -61.97 -74.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.456 ' O ' ' CZ ' ' A' ' 517' ' ' ARG . 22.3 tp -141.21 108.88 6.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.96 61.6 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 535' ' ' HIS . 54.5 t30 -47.73 -61.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 536' ' ' MET . 3.6 p-80 -37.22 -52.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.612 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 26.2 tpp -65.98 -52.83 46.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . 0.454 ' HG3' HD13 ' A' ' 513' ' ' LEU . 20.3 ttp -48.61 -61.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 502' ' ' LEU . 32.0 mt -49.0 -56.85 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -43.64 -43.64 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.876 HD11 ' SG ' ' A' ' 554' ' ' CYS . 70.5 mt -71.31 -58.63 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.544 ' HB2' HD12 ' A' ' 513' ' ' LEU . . . -48.58 -30.02 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -83.7 -34.51 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.36 -52.68 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.739 ' HA ' HG23 ' A' ' 573' ' ' ILE . 51.0 mt 61.55 53.0 2.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.478 ' CB ' ' HA3' ' A' ' 550' ' ' GLY . 53.6 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.328 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 570' ' ' HIS . 4.2 ptmm? -38.41 -54.41 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -81.05 156.09 72.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.526 ' HA ' HD13 ' A' ' 551' ' ' ILE . 54.0 Cg_endo -69.82 -11.67 31.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.83 -42.17 95.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -58.17 -29.11 62.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.5 mp -78.18 -22.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 21.8 mt -86.22 -40.5 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.13 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 540' ' ' ILE . 14.1 p -43.71 -31.22 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.86 145.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 8.8 m120 -165.56 108.04 0.76 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.8 Cg_endo -69.72 175.33 36.86 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.371 -0.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.431 HG13 ' HD2' ' A' ' 559' ' ' PRO . 48.2 t -96.93 133.45 24.25 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.634 0.73 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.431 ' HD2' HG13 ' A' ' 558' ' ' VAL . 53.7 Cg_endo -69.74 158.6 56.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.18 15.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.276 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 564' ' ' GLN . 96.0 mt -96.61 -73.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -37.99 -35.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.8 tpt85 -73.67 -43.11 60.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 561' ' ' LEU . 29.9 tt0 -70.44 -54.37 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -87.08 21.44 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.463 HD11 ' HB ' ' A' ' 551' ' ' ILE . 7.5 tp -54.81 -40.18 51.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -53.68 -45.6 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -63.97 -54.6 31.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . 0.514 ' SD ' ' CZ3' ' A' ' 516' ' ' TRP . 64.7 mmm -50.53 -50.68 52.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 546' ' ' LYS . 9.8 t-160 -52.03 -53.31 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 60.0 mt -47.95 -49.53 30.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.82 -54.88 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 544' ' ' LEU . 16.1 mm -46.55 -46.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.723 HE21 ' N ' ' A' ' 574' ' ' GLN . 1.3 mm-40 -63.73 -36.63 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 578' ' ' GLU . 20.0 mt-30 -70.18 -21.41 63.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.425 ' HB2' HD12 ' A' ' 512' ' ' LEU . . . -93.31 -35.39 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -40.09 22.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 579' ' ' MET . 16.2 pt-20 -47.78 -46.76 30.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.485 ' SD ' HG21 ' A' ' 508' ' ' THR . 15.1 ptm -65.76 145.5 99.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.02 100.79 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.976 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.847 ' H ' HG21 ' A' ' 504' ' ' THR . 61.2 mt -72.85 82.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -164.28 171.64 14.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 2.1 t -103.65 41.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -115.14 164.8 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.44 145.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . 66.23 41.13 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -96.53 86.54 4.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 76.5 -176.32 52.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.05 144.04 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.39 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -121.76 149.39 43.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 47.2 p -131.89 134.71 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 69.4 p -169.38 177.25 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -63.82 -168.42 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.89 34.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 5.5 t -174.21 176.27 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 49.4 m -48.21 144.55 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 97.2 p -161.64 136.73 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 2.0 t 56.13 42.29 28.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -71.9 -157.39 3.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 4.3 m -129.54 110.66 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 15.5 t -152.66 115.06 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 76.0 -141.26 26.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 483' ' ' LYS . 0.1 OUTLIER -145.98 140.88 16.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.549 0.69 . . . . 0.0 110.905 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 147.42 62.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.56 HG22 ' H ' ' A' ' 488' ' ' ASP . 64.1 mt -112.46 87.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -44.98 -54.11 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 85.4 m -38.71 -57.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . 0.56 ' H ' HG22 ' A' ' 485' ' ' ILE . 4.3 t70 -41.0 114.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -91.61 40.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 43.5 t -94.6 118.29 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -133.29 41.07 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.558 HD23 ' NH2' ' A' ' 496' ' ' ARG . 9.6 tp -93.32 -50.99 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 492' ' ' LEU . 30.6 tt0 -34.95 -54.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.21 -56.18 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.552 ' CD1' HD21 ' A' ' 507' ' ' LEU . 16.6 t80 -43.14 -60.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.558 ' NH2' HD23 ' A' ' 492' ' ' LEU . 40.1 mtm180 -89.22 41.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.52 -50.0 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -105.65 -71.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -155.94 158.51 38.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -81.55 83.89 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -107.91 -33.06 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.973 HD22 ' HB3' ' A' ' 506' ' ' GLN . 29.0 mt -73.01 153.46 40.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -118.94 -72.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.447 ' CB ' ' H ' ' A' ' 582' ' ' LEU . 55.4 m -135.0 -71.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 506' ' ' GLN . 78.0 mt-30 -52.43 -63.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . 0.973 ' HB3' HD22 ' A' ' 502' ' ' LEU . 44.2 mt-30 -36.65 -43.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 495' ' ' TYR . 17.6 mt -66.59 -49.4 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.9 m -50.32 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.471 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -64.49 -49.03 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -63.48 -53.53 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.428 ' HB3' HD22 ' A' ' 572' ' ' LEU . 50.9 mt -52.81 -45.09 67.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.08 -53.11 61.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.73 -51.79 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.11 71.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -52.78 -44.52 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -60.23 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -60.51 -42.66 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 519' ' ' LYS . 0.3 OUTLIER -57.77 -63.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.847 HG22 ' HG2' ' A' ' 524' ' ' GLU . 21.4 m -59.37 -42.35 91.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 520' ' ' THR . . . -33.59 -53.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.055 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -56.05 -51.47 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -57.51 -42.67 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.847 ' HG2' HG22 ' A' ' 520' ' ' THR . 52.7 mm-40 -70.94 -31.0 67.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . . . . . . . . . 43.4 t0 65.97 41.64 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.73 167.07 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 65.6 p -59.31 152.14 21.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.66 -59.5 5.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . -46.75 -39.7 11.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -57.0 -50.16 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.97 0.414 . . . . 0.0 110.954 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.744 HG13 HD13 ' A' ' 561' ' ' LEU . 57.4 t -61.8 -61.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.0 tp -154.81 105.01 2.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.611 0.72 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 532' ' ' LEU . 54.1 Cg_endo -69.74 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -54.47 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 536' ' ' MET . 7.2 p-80 -47.79 -48.81 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . 0.563 ' N ' ' CG ' ' A' ' 535' ' ' HIS . 31.4 ttm -64.8 -59.71 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 16.5 ttp -45.58 -46.55 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 539' ' ' LYS . 26.8 mt -63.52 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 538' ' ' LEU . 5.7 ttmm -34.44 -38.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.686 HD11 ' SG ' ' A' ' 554' ' ' CYS . 64.9 mt -78.18 -54.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -50.42 -37.91 40.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -78.03 -40.23 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.95 -53.11 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.465 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 70.6 mt 62.79 52.54 1.74 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.9 Cg_endo -69.73 109.79 2.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.375 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.479 ' HA ' ' NE2' ' A' ' 574' ' ' GLN . 11.1 ptmm? -52.09 -42.65 63.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -86.35 158.12 55.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.573 ' O ' HD11 ' A' ' 566' ' ' ILE . 53.6 Cg_endo -69.72 -18.35 37.27 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -63.69 -48.9 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.425 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -51.23 -29.27 21.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 548' ' ' PRO . 4.7 mp -80.29 -25.55 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.17 -38.64 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 555' ' ' CYS . . . -71.62 -43.13 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.686 ' SG ' HD11 ' A' ' 540' ' ' ILE . 9.6 p -41.81 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 553' ' ' ALA . 1.9 p -115.28 132.92 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 17.0 t-20 -153.44 111.5 2.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 52.9 Cg_endo -69.79 173.46 44.65 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.84 127.84 43.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . 0.601 ' HG2' HG23 ' A' ' 562' ' ' VAL . 53.5 Cg_endo -69.78 161.46 45.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.71 8.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.744 HD13 HG13 ' A' ' 531' ' ' VAL . 94.8 mt -99.15 -64.32 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 559' ' ' PRO . 98.6 t -42.39 -41.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -75.23 -41.56 57.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.85 -58.79 6.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.69 31.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 548' ' ' PRO . 6.3 tp -55.57 -39.91 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -55.8 -47.75 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.87 -49.26 78.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 35.5 mmm -53.03 -51.16 62.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 546' ' ' LYS . 7.5 t-160 -52.91 -46.86 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 97.2 mt -53.86 -46.48 71.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 512' ' ' LEU . 38.2 mt -56.45 -48.36 77.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.423 HG23 ' HA ' ' A' ' 544' ' ' LEU . 46.9 mm -56.25 -38.17 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 17.0 mm-40 -71.52 -30.28 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.35 -33.5 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -83.3 -26.3 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -84.59 -44.61 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 579' ' ' MET . 24.4 pt-20 -49.63 -40.51 39.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . 0.494 ' HE1' ' HG3' ' A' ' 583' ' ' LYS . 5.0 ppp? -71.23 142.51 87.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.67 68.69 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.447 ' C ' ' HG ' ' A' ' 582' ' ' LEU . 10.4 mt -68.93 163.03 25.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 582' ' ' LEU . 2.7 pp 34.63 50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.494 ' HG3' ' HE1' ' A' ' 579' ' ' MET . 50.4 mtmt -33.53 -55.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 21.0 t -73.61 120.69 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 98.53 11.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.91 -18.13 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -169.8 111.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -59.41 97.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -72.07 145.66 38.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 7.1 p -111.4 137.25 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.926 0.393 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -103.51 165.11 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 4.6 m -137.51 150.68 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 40.9 p -172.83 172.2 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 119.18 90.09 1.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 37.0 t -169.48 157.36 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 33.6 m -57.53 130.47 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.3 t -162.47 120.2 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 11.7 t -81.96 166.81 19.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -161.82 173.75 38.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 13.1 t -143.95 151.08 39.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 1.4 t -40.71 146.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 47.64 -138.7 10.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -141.77 130.93 12.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 98.69 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 49.7 mm -56.07 134.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.651 ' CE1' ' CE2' ' A' ' 514' ' ' PHE . 5.1 t80 -78.33 -43.49 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 487' ' ' THR . 6.7 t -80.1 84.6 5.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.42 164.4 15.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.26 -6.85 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.7 t -164.42 106.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 491' ' ' TYR . 0.3 OUTLIER -96.56 26.71 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.924 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.18 -48.1 13.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -42.27 -44.77 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.564 ' O ' HD23 ' A' ' 494' ' ' LEU . 5.2 tt -59.08 -49.19 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' TYR . . . . . 0.814 ' CE1' HD21 ' A' ' 507' ' ' LEU . 1.4 t80 -56.17 -52.79 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 496' ' ' ARG . 9.4 mtm105 -92.54 57.02 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 498' ' ' GLN . 0.0 OUTLIER -84.25 28.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 497' ' ' LYS . 10.2 pt20 43.76 50.0 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -173.03 124.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.76 54.56 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 501' ' ' HIS . 9.9 p80 -46.19 117.73 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.485 HD23 ' OE2' ' A' ' 542' ' ' GLU . 69.0 mt -80.65 152.45 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.36 -175.0 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 83.2 m -48.56 -65.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -52.78 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -39.41 -50.46 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.814 HD21 ' CE1' ' A' ' 495' ' ' TYR . 20.9 mt -52.87 -49.2 66.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 69.9 m -53.1 -48.68 67.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ALA . . . . . 0.487 ' HB2' ' CB ' ' A' ' 576' ' ' ALA . . . -63.92 -48.25 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' PHE . . . . . 0.544 ' CZ ' HD22 ' A' ' 494' ' ' LEU . 73.6 t80 -48.02 -45.83 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -65.01 -47.85 76.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 38.6 mt -54.6 -47.67 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.58 -57.2 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 486' ' ' PHE . 10.7 t80 -39.29 -58.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' ALA . . . . . . . . . . . . . . . -53.72 -51.92 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -53.64 -42.39 67.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 528' ' ' TYR . 7.5 ttt-85 -56.2 -53.33 58.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 486' ' ' PHE . 10.6 t0 -59.37 -40.63 87.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 520' ' ' THR . 0.9 OUTLIER -61.24 -65.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 519' ' ' LYS . 94.9 m -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.91 -59.78 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -55.88 -45.53 78.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -63.38 -27.33 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 525' ' ' ASP . 73.9 mm-40 -95.64 19.05 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 524' ' ' GLU . 4.7 t0 36.7 34.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 530' ' ' TYR . 8.2 tp10 -120.73 162.18 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 2.5 t -69.2 149.12 48.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 517' ' ' ARG . 46.2 m-85 -55.82 -60.33 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 530' ' ' TYR . . . -42.77 -61.2 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.477 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.429 ' CD2' ' HG2' ' A' ' 526' ' ' GLU . 58.4 t80 -36.74 -61.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . 0.529 HG13 HD13 ' A' ' 561' ' ' LEU . 99.8 t -43.0 -67.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 533' ' ' PRO . 13.4 tp -148.71 108.52 3.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.503 ' CG ' ' CE1' ' A' ' 535' ' ' HIS . 53.0 Cg_endo -69.79 -173.96 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 535' ' ' HIS . 4.5 m120 -73.07 -67.7 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.503 ' CE1' ' CG ' ' A' ' 533' ' ' PRO . 3.8 p80 -35.64 -46.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' MET . . . . . . . . . . . . . 37.0 tpp -67.57 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' MET . . . . . . . . . . . . . 15.0 ttm -39.22 -63.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 28.9 mt -48.4 -59.48 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -40.73 -51.27 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ILE . . . . . 0.511 HD11 ' SG ' ' A' ' 554' ' ' CYS . 59.3 mt -65.4 -56.39 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 544' ' ' LEU . . . -48.82 -32.28 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.485 ' OE2' HD23 ' A' ' 502' ' ' LEU . 18.6 mt-10 -81.78 -41.97 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.58 -40.45 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 545' ' ' PRO . 44.0 mt 54.45 53.27 9.88 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.649 0.738 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 544' ' ' LEU . 53.5 Cg_endo -69.78 102.7 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -52.49 -30.91 32.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 546' ' ' LYS . 12.2 mt-10 -96.79 157.77 34.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' PRO . . . . . 0.66 ' HA ' HD13 ' A' ' 551' ' ' ILE . 53.2 Cg_endo -69.76 -22.73 31.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.1 -38.88 92.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 545' ' ' PRO . . . -60.83 -19.38 55.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 548' ' ' PRO . 5.2 mp -87.95 -18.62 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.343 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.458 HG23 HG21 ' A' ' 558' ' ' VAL . 42.9 mt -91.28 -35.56 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' CYS . . . . . 0.511 ' SG ' HD11 ' A' ' 540' ' ' ILE . 1.4 p -50.33 -44.74 54.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 554' ' ' CYS . 2.2 p -85.51 138.43 32.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 557' ' ' PRO . 2.5 t-20 -162.11 107.08 1.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 556' ' ' ASN . 53.7 Cg_endo -69.83 176.93 30.83 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.365 -0.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.458 HG21 HG23 ' A' ' 552' ' ' ILE . 48.2 t -92.99 131.6 32.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 160.35 50.02 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 531' ' ' VAL . 86.1 mt -96.65 -70.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 561' ' ' LEU . 53.4 t -35.43 -35.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 561' ' ' LEU . 5.2 tpt180 -78.13 -48.6 15.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 561' ' ' LEU . 22.0 tt0 -60.16 -50.75 72.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -98.12 21.6 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' ILE . . . . . . . . . . . . . 3.7 tp -49.61 -36.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -59.38 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.63 -51.12 70.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' MET . . . . . . . . . . . . . 49.4 mtp -51.27 -52.77 41.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -50.97 -47.51 61.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 73.1 mt -53.55 -48.57 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 40.5 mt -53.48 -52.9 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 545' ' ' PRO . 35.3 mm -52.74 -41.69 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 546' ' ' LYS . 7.4 mm-40 -68.12 -32.32 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -68.93 -30.86 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 509' ' ' ALA . . . -88.09 -17.31 31.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -96.62 -26.43 15.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -54.0 -41.4 67.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -80.96 142.59 52.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.19 103.15 12.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.426 ' CD2' ' H ' ' A' ' 582' ' ' LEU . 2.1 mm? -46.25 -48.52 17.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -53.63 -58.12 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 71.1 m -77.42 167.64 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -121.15 82.48 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 587' ' ' ALA . 13.3 p -173.47 153.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 586' ' ' VAL . . . -125.82 82.56 2.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -75.96 123.84 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . 60.69 108.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 55.7 t -119.72 77.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -140.46 179.63 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 150.07 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' SER . . . . . . . . . . . . . 9.0 m -105.38 -63.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' SER . . . . . . . . . . . . . 2.1 t -107.19 124.44 49.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . -78.96 -81.78 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.5 3.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 94.0 p -130.01 100.93 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.0 t -95.4 163.62 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 -179.974 . . . . . . . . 0 0 . 1 stop_ save_