data_2n3t_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 2n3t _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 490' ' ' ILE . . . . . . . . . . . . . 4.5 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.759 0.314 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.6 tt -49.52 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.49 -40.51 31.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.6 -31.17 71.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 109.969 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.33 80.39 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.45 -38.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 0.0 110.422 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.611 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.22 -23.41 54.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -53.87 -1.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.71 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.611 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -56.23 -35.64 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.555 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 501' ' ' LYS . . . -83.27 -3.53 90.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 502' ' ' ASN . 68.5 m -45.1 -12.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.538 ' H ' ' C ' ' A' ' 499' ' ' GLY . 56.9 mttp -74.89 33.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.399 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 504' ' ' GLU . 1.4 m-80 -120.0 128.62 53.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.151 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -46.41 -12.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.4 tt0 -76.87 -55.44 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.235 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.63 -37.57 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.92 -30.06 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.66 -27.66 56.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.91 -44.54 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 513' ' ' ALA . 3.6 mm? -61.78 -49.74 75.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -45.34 -66.05 0.55 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.98 -41.32 26.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.136 1.89 . . . . 0.0 111.699 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.35 -21.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -85.35 -18.7 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.11 56.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 26.8 t 44.16 81.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.7 p -73.97 -12.45 60.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.08 -57.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.66 149.89 1.02 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.73 139.97 13.21 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.3 2.0 . . . . 0.0 111.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 16.8 pt -73.33 -14.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.276 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.68 -55.13 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 22.5 p -61.87 -40.17 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.34 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.04 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.1 mmt -62.78 -49.63 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.44 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 25.8 m -56.76 -32.32 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.86 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.28 -46.9 36.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.296 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.14 -52.31 64.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -42.18 -26.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 531' ' ' ALA . 60.0 t -88.82 -59.47 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 536' ' ' GLY . 16.9 m-85 -70.49 0.43 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.6 p -49.96 -13.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -107.25 -35.33 2.72 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 534' ' ' PHE . 33.4 p -99.97 177.24 5.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.0 p -138.81 150.07 45.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 56.1 t-20 -160.78 138.42 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -79.0 -17.28 77.35 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -62.59 -57.79 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -45.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.453 ' HG1' ' CD2' ' A' ' 573' ' ' LEU . 11.0 m -56.76 -39.56 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.326 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.3 m -51.78 -55.59 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.1 m -63.49 -43.61 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.85 -26.0 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.488 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 9.3 tpt -76.91 -50.69 12.72 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -51.98 -36.54 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -71.15 -36.38 72.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.511 ' O ' ' NE ' ' A' ' 553' ' ' ARG . 0.2 OUTLIER -54.54 -35.79 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.2 mt -88.95 -28.98 19.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -75.46 -7.37 53.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 550' ' ' PHE . 85.4 mtm180 -40.59 105.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.751 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 556' ' ' ILE . 21.3 p -79.7 166.31 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -40.41 -22.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.307 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -53.89 -7.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.827 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.618 ' C ' ' H ' ' A' ' 559' ' ' LYS . 2.6 pt-20 -65.37 -16.41 63.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.324 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -53.46 -0.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.994 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.618 ' H ' ' C ' ' A' ' 557' ' ' GLU . 40.2 mmtt -80.89 -168.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.767 0.317 . . . . 0.0 110.254 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 33.0 m -165.23 75.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -173.42 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.545 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -64.55 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.545 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.2 p -65.29 -42.02 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.737 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.56 -35.44 76.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.95 -39.6 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.43 -42.8 99.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.81 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.462 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.79 -41.01 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.36 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.87 -27.32 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.67 -29.73 28.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.447 HD12 HG22 ' A' ' 572' ' ' ILE . 90.0 mt -71.41 -33.22 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.453 ' CD2' ' HG1' ' A' ' 543' ' ' THR . 3.5 mp -61.86 -27.72 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 28.1 m-85 -118.8 35.05 4.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.641 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.7 ttt -50.88 -32.75 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -90.81 25.91 12.38 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.17 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 166.2 137.09 2.14 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.48 -25.48 6.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -56.04 -44.59 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.96 -41.7 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 582' ' ' ASP . 51.6 t0 -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.428 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.75 -45.35 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.21 -61.08 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.4 mp -50.01 -43.66 50.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.64 -31.89 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -71.39 -40.22 70.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 43.2 mt -60.79 -43.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 33.0 t -63.94 -30.34 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.15 96.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 62.9 mt -98.78 123.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' A' ' 593' ' ' HIS . 3.2 tm-20 -62.61 129.4 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.563 ' O ' ' O ' ' A' ' 594' ' ' PRO . 0.1 OUTLIER -136.95 158.27 73.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.366 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.609 ' C ' ' H ' ' A' ' 596' ' ' THR . 2.5 Cg_endo -47.68 -160.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.943 2.428 . . . . 0.0 112.298 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 597' ' ' SER . 10.7 ptt? -55.83 -0.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.609 ' H ' ' C ' ' A' ' 594' ' ' PRO . 8.3 m -42.52 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 595' ' ' MET . 20.2 m -46.89 -30.45 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.46 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -65.21 -40.98 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.14 -40.92 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.77 -33.81 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.406 ' O ' ' OG ' ' A' ' 605' ' ' SER . 2.1 tt -62.97 -67.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.85 -24.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.3 -29.87 71.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 602' ' ' LEU . 83.6 p -77.84 -39.39 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.682 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.14 85.65 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 494' ' ' GLY . 13.5 mm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.0 tp -49.88 -61.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.22 -67.86 1.96 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -22.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.053 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -61.63 -79.22 0.14 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 23.2 pt -62.24 3.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.535 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -79.83 -63.55 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.71 ' CD1' ' N ' ' A' ' 498' ' ' ALA . 25.3 p90 -48.69 -49.24 38.63 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.871 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.71 ' N ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.83 -6.05 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.629 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -47.2 -54.8 9.47 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.538 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.9 t -136.87 -65.34 0.55 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.657 0.729 . . . . 0.0 112.54 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.7 OUTLIER -118.65 -28.01 5.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.333 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 0.4 OUTLIER 85.81 0.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 36.3 p-10 -78.51 -20.04 51.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.99 -56.2 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 110.169 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.34 -27.71 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.86 -35.29 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.379 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.471 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -74.63 -25.63 69.5 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 mp -87.09 -44.23 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.5 OUTLIER -62.8 -45.03 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.499 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.0 mm? -48.16 -65.91 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.39 -44.9 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.229 1.953 . . . . 0.0 111.784 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 512' ' ' ILE . 95.3 mt -76.08 -18.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.01 -36.09 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.648 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.93 2.14 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 517' ' ' ASP . 32.2 m -93.8 61.37 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -12.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 515' ' ' SER . 8.6 t70 -42.6 -31.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.62 151.11 38.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.42 147.05 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.422 2.081 . . . . 0.0 111.746 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 34.8 pt -71.37 -24.7 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -51.26 -32.03 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.427 ' H ' ' HG1' ' A' ' 522' ' ' THR . 0.2 OUTLIER -79.2 -51.11 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.89 -26.22 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -59.22 -59.24 5.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.2 mmt -57.23 -56.86 16.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.9 t -64.34 -36.45 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.17 -55.78 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 532' ' ' HIS . . . -57.19 -49.41 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.95 -39.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.361 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.28 73.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 529' ' ' ALA . 0.6 OUTLIER -73.5 -15.01 61.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.293 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 63.2 t -85.3 -57.3 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.42 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 1.5 m-85 -77.13 1.05 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.617 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.28 -12.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.396 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -91.44 -51.88 2.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 55.9 p -99.37 177.11 5.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.465 HD21 ' H ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -165.76 117.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.67 -19.74 79.74 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.465 ' H ' HD21 ' A' ' 539' ' ' ASN . 41.1 t0 -55.52 -42.58 74.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.75 -51.78 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.722 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 5.3 m -54.77 -22.83 15.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 2.8 m -71.29 -51.51 24.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.433 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' A' ' 545' ' ' SER . 5.8 p -65.57 -43.99 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.185 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.06 -55.01 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.147 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.43 -41.87 86.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.574 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -55.88 -51.28 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.89 -36.63 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -57.71 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -49.3 -24.27 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 553' ' ' ARG . 6.4 tp10 -81.61 -55.57 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.811 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.7 mtm180 43.91 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 556' ' ' ILE . 20.6 p -73.56 160.74 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.79 -14.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.633 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.456 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -52.93 -10.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' A' ' 559' ' ' LYS . 47.3 mm-40 -59.46 -17.03 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.399 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.69 2.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.745 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 557' ' ' GLU . 63.4 mttt -124.46 142.18 51.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.91 98.23 5.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 562' ' ' TRP . 17.6 p30 -173.98 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.477 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 6.7 p-90 -67.59 -34.38 76.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 t -46.35 -31.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.468 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -56.02 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.53 -37.53 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.27 -44.5 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.08 -55.43 29.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 8.8 mp -49.39 -44.09 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.43 46.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.45 -16.54 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.77 -44.06 7.99 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.0 mt -81.99 -30.46 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.0 tp -47.13 -36.73 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 576' ' ' GLY . 9.7 m-85 -105.28 29.72 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 574' ' ' TYR . 9.1 ptp 32.04 34.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 86.33 -73.63 2.49 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -101.72 155.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.52 127.11 1.16 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 3.1 mp0 -46.79 -20.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.491 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -55.85 -45.02 78.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.38 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.65 -49.04 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 -38.87 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.64 -44.15 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.613 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.29 -61.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 69.7 mt -46.83 -45.73 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -48.62 77.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.2 mt -57.75 -42.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.305 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.7 p -68.04 -32.79 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -53.37 -58.28 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 591' ' ' ILE . 89.6 mt -84.43 153.84 3.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.45 112.29 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.714 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -137.32 87.19 18.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.311 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.51 -8.77 24.37 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.377 2.051 . . . . 0.0 111.889 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 6.1 ttt -97.49 -63.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.329 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 598' ' ' ALA . 4.2 m -51.8 -24.02 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 34.5 t -44.04 -22.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -68.06 -53.85 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.87 -25.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.43 -52.75 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.9 -33.6 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -68.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.4 t -56.01 -21.07 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -78.22 -56.44 3.71 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.6 m -51.32 -35.91 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.43 91.8 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 494' ' ' GLY . 1.8 mp . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.759 0.314 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.87 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -40.88 -81.14 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.3 tp -45.36 -17.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.203 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.46 -89.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.405 ' HA ' ' CE1' ' A' ' 497' ' ' PHE . 14.4 tt -48.52 -8.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.59 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -73.93 -37.65 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.453 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -50.98 -10.84 0.08 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.862 173.211 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -84.12 -4.21 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.17 -54.98 6.81 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.759 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -137.15 -67.55 0.49 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.227 1.013 . . . . 0.0 112.726 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.621 ' O ' ' ND2' ' A' ' 502' ' ' ASN . 10.9 tmtt? -120.83 -28.24 4.88 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.628 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 501' ' ' LYS . 0.6 OUTLIER 94.14 2.46 0.06 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.578 0.549 . . . . 0.0 110.654 -179.291 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -78.36 -23.52 46.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.753 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.91 -49.84 66.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 110.114 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.7 t -64.78 -24.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.904 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.19 -53.81 10.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.176 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -54.25 -23.81 27.05 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.12 -51.75 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.998 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 513' ' ' ALA . 6.0 mt -58.98 -46.12 88.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.2 mm? -47.48 -66.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.9 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 507' ' ' GLY . 2.9 Cg_endo -46.93 -37.86 22.68 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.065 1.843 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.1 mt -80.22 -23.15 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.447 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.71 -16.46 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.89 -0.72 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 517' ' ' ASP . 39.9 t -115.54 62.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.403 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 t -49.59 -10.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 515' ' ' SER . 48.3 t0 -39.1 -39.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.58 154.97 65.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.051 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.69 127.86 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.469 2.113 . . . . 0.0 111.804 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.24 -28.05 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -45.97 -43.04 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 26.1 m -66.85 -37.4 84.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.311 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.25 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.641 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 58.3 mtp -56.2 -38.87 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.72 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 67.6 m -65.19 -54.42 29.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.405 HD23 ' H ' ' A' ' 528' ' ' LEU . 2.9 mm? -48.63 -41.29 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.45 80.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.9 mt -69.23 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -50.28 -31.46 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.43 -17.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.847 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.527 ' CZ ' ' OD1' ' A' ' 502' ' ' ASN . 6.7 m-85 -97.27 -0.82 45.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 9.9 p -50.09 -11.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.16 -60.81 0.95 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 0.0 OUTLIER -103.03 176.63 5.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.632 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.504 ' N ' ' OG1' ' A' ' 537' ' ' THR . 30.2 p -131.15 153.69 49.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.525 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 54.3 t-20 -148.58 134.58 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.17 -21.55 77.14 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.525 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 46.4 m-20 -53.58 -49.52 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.84 -35.99 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.4 m -67.49 -19.0 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.257 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 3.3 m -77.02 -49.76 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 12.4 p -69.65 -30.87 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.065 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.85 -58.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.301 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -29.83 59.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.43 -47.43 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.28 -25.91 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.63 -55.02 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.1 -36.75 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 553' ' ' ARG . 1.9 tp10 -78.29 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 39.74 95.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 556' ' ' ILE . 11.4 m -68.4 167.17 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.523 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.32 -7.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -60.3 -1.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' A' ' 559' ' ' LYS . 10.9 pt-20 -70.79 -16.71 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.354 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -47.06 -10.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.025 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 557' ' ' GLU . 58.9 mttm -94.27 138.66 32.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.399 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.8 m -104.21 -17.2 14.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.5 -9.72 46.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -81.77 -46.9 13.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.62 -31.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -59.92 -55.81 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.12 -56.77 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.449 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 34.1 tp -46.79 -47.35 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.78 -42.44 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.19 -64.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 mt -43.49 -17.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -84.16 -40.15 8.77 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 569' ' ' ALA . 96.3 mt -65.53 -35.76 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.7 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 -55.32 23.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 12.8 m-85 -99.43 2.89 45.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 571' ' ' GLY . 9.5 ttp 43.5 26.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 67.18 48.9 56.73 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -172.52 133.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.633 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 125.63 103.46 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.595 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 20.7 mp0 -42.72 -20.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 578' ' ' GLY . 55.3 tp60 -55.46 -37.99 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 4.8 p -66.78 -42.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.535 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.0 OUTLIER -49.84 -38.25 34.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.991 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.11 -43.41 78.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 86.8 t -54.72 -34.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.355 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.69 -48.21 64.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.204 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -47.63 -31.75 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 33.6 m -73.85 -52.96 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 588' ' ' ILE . 93.4 mt -56.43 -23.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.476 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.7 t -77.7 -49.05 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.33 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 591' ' ' ILE . 1.5 mp -76.86 128.9 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.483 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 3.2 pt-20 -59.15 97.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 1.8 m-70 -137.14 81.85 31.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.19 -21.87 19.78 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.616 2.21 . . . . 0.0 111.585 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.4 mtm -75.71 -49.13 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 p -79.01 -23.6 44.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 13.3 t -43.97 -32.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.53 78.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.161 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.19 -39.91 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.366 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 4.8 tm-20 -49.96 -34.54 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.21 -54.94 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 9.7 mp -49.2 -43.42 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.62 -24.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.49 -36.9 58.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.0 m -81.03 -58.46 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 31.9 t -74.77 87.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.506 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.774 0.321 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.25 -41.62 93.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.246 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -47.98 -83.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.29 -20.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.417 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.636 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -58.47 -93.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.7 tt -45.67 -9.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.605 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -74.55 -32.92 62.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.511 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -51.73 -9.2 0.08 Allowed 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.785 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -83.59 -4.08 58.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.19 -54.54 7.1 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.715 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' A' ' 501' ' ' LYS . 78.1 p -136.7 -67.6 0.5 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.181 0.99 . . . . 0.0 112.749 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.617 ' H ' ' HG ' ' A' ' 500' ' ' SER . 0.0 OUTLIER -120.91 -28.85 4.73 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.76 -179.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 3.0 p-10 92.86 7.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.625 0.578 . . . . 0.0 110.511 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -37.23 44.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 504' ' ' GLU . 1.3 mp0 -51.95 -59.61 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 -39.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.85 -28.37 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.07 -27.04 58.93 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.7 -46.36 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.071 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 513' ' ' ALA . 8.1 mp -61.38 -48.38 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.6 mm? -45.39 -66.41 0.5 Allowed Pre-proline 0 C--N 1.329 -0.312 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.661 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -47.09 -47.02 17.77 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.132 1.888 . . . . 0.0 111.77 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.89 -22.05 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.51 -31.89 37.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.95 35.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 517' ' ' ASP . 53.0 p -138.02 73.65 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 35.9 p -49.56 -10.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 515' ' ' SER . 9.3 m-20 -38.96 -54.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.415 ' CD2' ' H ' ' A' ' 518' ' ' LEU . 0.1 OUTLIER -83.56 152.73 64.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.24 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.14 153.85 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.444 2.096 . . . . 0.0 111.785 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 24.6 pt -71.18 -14.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.63 -41.58 99.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.578 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.1 p -69.08 -55.77 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.31 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -67.33 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.9 mmt -48.86 -41.18 32.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.44 92.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.343 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.9 m -60.92 -45.69 93.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.99 -58.26 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.196 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.29 -34.48 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -58.6 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -57.15 -23.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.542 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.5 -51.94 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.52 ' CG2' ' CD1' ' A' ' 497' ' ' PHE . 4.1 p -79.46 -29.34 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.04 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.515 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 0.8 OUTLIER -86.0 0.42 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.526 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.48 -14.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.82 -53.46 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.515 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 19.2 p -87.78 177.36 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 0.0 110.333 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.4 t -149.48 156.82 42.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -162.48 144.67 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.14 -41.38 97.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -45.39 -55.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.6 mt -45.34 -46.89 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.1 m -64.34 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.1 m -63.17 -52.8 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -35.38 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.01 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.56 -50.14 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.46 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -50.36 -35.32 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -46.35 85.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.44 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.59 -47.42 82.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 553' ' ' ARG . 29.6 tp10 -58.45 -56.06 26.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.777 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 552' ' ' GLU . 43.4 ttp180 30.48 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 556' ' ' ILE . 18.0 p -80.25 155.73 27.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.521 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.42 -7.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.422 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.09 -8.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 559' ' ' LYS . 9.4 mm-40 -60.07 -17.48 39.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.234 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 1.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.819 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' A' ' 557' ' ' GLU . 23.1 ttmt -65.61 -137.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.464 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 72.5 p -101.77 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.99 69.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -67.83 -22.95 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.7 p -48.84 -21.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.654 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -66.7 -55.95 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.707 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -56.55 -36.81 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.74 -26.64 67.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.71 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.3 -28.94 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -73.28 -56.22 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.99 -19.62 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.38 -56.11 3.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.82 -22.02 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.669 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.46 -58.51 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 576' ' ' GLY . 40.0 m-85 -78.98 -30.95 44.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 25.0 ttp 61.01 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -73.04 75.06 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -49.08 136.86 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.67 -147.85 6.35 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.7 -26.57 57.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.626 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -55.82 -50.25 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.42 -51.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -45.42 -36.72 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.77 -41.25 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.62 -56.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 585' ' ' LEU . 10.5 mp -55.23 -45.38 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -51.26 -36.41 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.4 m -75.13 -47.8 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.39 -38.05 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.7 t -76.95 -20.54 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -67.51 -59.96 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 22.1 pt -76.97 167.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.59 91.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.679 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.98 78.98 58.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.188 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.432 ' O ' ' OG ' ' A' ' 597' ' ' SER . 3.3 Cg_exo -74.08 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.77 2.313 . . . . 0.0 112.067 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.418 ' C ' ' N ' ' A' ' 597' ' ' SER . 12.7 tpt -44.08 -52.86 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.617 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 598' ' ' ALA . 3.0 m -43.58 -23.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 594' ' ' PRO . 42.6 p -43.68 -22.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 596' ' ' THR . . . -65.43 -40.91 93.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 92.4 mt -77.8 -28.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.422 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -58.34 -49.4 77.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.39 -31.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.39 -70.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.39 -42.9 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -53.41 -65.5 3.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 17.4 t -49.21 -46.12 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.38 88.33 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -73.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.22 -40.44 7.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.496 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.4 mp -65.89 -45.34 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.15 -43.92 73.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.6 pt -83.88 -4.81 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.64 -44.52 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 0.3 OUTLIER -58.28 -43.9 88.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -48.3 -5.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.606 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.89 -53.63 7.26 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.838 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.1 m -136.07 -67.04 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.674 0.737 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 -28.96 4.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.489 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.599 HD21 ' CG1' ' A' ' 533' ' ' VAL . 0.1 OUTLIER 72.69 17.64 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 504' ' ' GLU . 3.4 p30 -78.29 -54.46 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.505 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 503' ' ' ASP . 44.3 tt0 -46.02 -58.8 3.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.071 0.462 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -24.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 503' ' ' ASP . 0.2 OUTLIER -61.62 -53.14 60.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.418 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.418 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -62.05 -23.88 64.36 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.68 -37.4 18.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.019 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.3 OUTLIER -64.04 -50.19 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 3.6 mp -45.75 -65.56 0.64 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.713 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.66 -40.23 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.206 1.937 . . . . 0.0 111.59 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.69 -21.44 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.51 -15.56 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.784 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.82 0.4 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.2 t 41.71 58.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.4 p -65.77 -37.77 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -146.73 9.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 519' ' ' PRO . 0.1 OUTLIER -109.8 177.56 1.21 Allowed Pre-proline 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 518' ' ' LEU . 3.0 Cg_exo -77.37 153.25 31.02 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.625 2.217 . . . . 0.0 111.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.1 pt -72.37 -27.49 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.97 -63.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 11.9 m -50.71 -38.11 45.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.75 63.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.06 -52.01 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.507 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 5.0 mmt -54.2 -40.88 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.32 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.402 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 36.3 t -67.39 -44.26 79.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.5 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.4 -51.86 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.34 -31.62 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -50.64 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.43 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.424 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 4.4 m-70 -58.25 -37.3 74.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.599 ' CG1' HD21 ' A' ' 502' ' ' ASN . 91.0 t -75.17 -65.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.748 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 537' ' ' THR . 3.5 m-85 -61.68 0.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.3 p -49.53 -17.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.128 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -101.43 -42.84 2.27 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 534' ' ' PHE . 17.4 p -90.35 177.22 6.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 94.5 m -130.75 155.61 46.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 0.2 OUTLIER -176.75 118.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.137 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.74 -31.84 62.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.465 ' O ' ' OG1' ' A' ' 544' ' ' THR . 5.8 t0 -46.17 -42.92 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.553 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.54 -28.66 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.8 m -79.12 -30.49 43.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 42.3 p -60.45 -53.29 59.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 5.7 t -61.84 -50.4 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.056 0.455 . . . . 0.0 109.862 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.41 -34.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.09 -31.56 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.286 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.56 -36.62 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.328 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.5 -47.09 43.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.266 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -47.45 -31.42 4.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.93 -36.88 30.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 553' ' ' ARG . 21.2 tt0 -63.1 -55.93 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 552' ' ' GLU . 13.4 mmm180 27.95 81.31 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.455 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.63 ' C ' ' H ' ' A' ' 556' ' ' ILE . 1.0 OUTLIER -91.28 148.03 22.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.26 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -55.62 -1.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.481 . . . . 0.0 110.177 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.63 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -69.3 -21.0 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -23.39 61.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.034 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.53 -37.76 12.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.377 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -55.08 -63.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 75.4 p -93.0 -160.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -140.69 39.9 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 1.2 p-90 -53.86 -25.51 20.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.411 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -47.21 -39.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.704 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.22 -56.01 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -59.78 -21.45 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.682 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -22.93 50.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.53 19.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.75 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 568' ' ' LEU . 3.9 mm? -71.19 -27.84 63.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.662 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -75.98 -44.45 39.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 11.7 tp -77.51 -20.81 53.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -80.72 -45.85 7.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 tt -72.4 -23.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.6 -38.85 47.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.552 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -102.8 30.7 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 575' ' ' MET . 2.0 tmt? -83.05 124.42 30.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 111.61 -40.45 2.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.31 167.3 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -144.43 -57.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.93 -39.07 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.279 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.73 -39.67 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.6 -55.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.456 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 28.7 m-20 -45.09 -37.57 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -65.68 -44.37 86.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.456 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.2 -57.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.75 -38.57 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -56.96 -32.0 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.396 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.9 m -81.21 -55.0 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 80.8 mt -52.07 -31.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -72.99 -46.1 54.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.53 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 14.2 mm -70.05 165.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.33 130.28 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 6.1 p80 -137.37 75.74 44.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.769 2.313 . . . . 0.0 111.94 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -96.48 -32.86 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 71.1 p -50.02 -24.36 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 11.5 t -48.94 -45.53 41.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -45.07 -33.61 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.5 -44.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 602' ' ' LEU . 0.3 OUTLIER -50.51 -63.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.02 -48.43 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.36 -42.92 13.86 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 607' ' ' ALA . 20.4 t -72.18 -33.11 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.683 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.73 15.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 605' ' ' SER . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 494' ' ' GLY . 5.1 mm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.73 0.3 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.98 -60.45 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.78 -48.7 36.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.0 mp -72.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -70.13 -39.22 72.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 59.6 mt -88.92 -38.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 110.758 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.55 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -67.27 -32.12 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 1.3 m-85 -50.1 -7.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.55 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -48.99 -36.88 18.66 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' ' 501' ' ' LYS . . . -87.8 -8.06 73.68 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 502' ' ' ASN . 24.8 t -46.22 -13.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 499' ' ' GLY . 0.0 OUTLIER -75.21 33.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.071 0.463 . . . . 0.0 110.186 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 500' ' ' SER . 4.4 m120 -109.31 164.01 12.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.171 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -78.19 -12.77 60.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.613 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.94 -58.22 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.41 -35.81 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.261 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.53 -52.37 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.453 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -67.36 -20.51 71.56 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.3 tp -87.38 -58.06 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.006 0.432 . . . . 0.0 111.232 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 513' ' ' ALA . 1.5 tp -58.26 -28.13 64.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mp -59.56 -65.77 1.86 Allowed Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.946 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -48.26 -29.47 13.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.922 1.748 . . . . 0.0 111.154 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 57.6 mt -86.74 -26.54 6.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.475 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.38 -10.55 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' A' ' 549' ' ' ASN . . . -81.53 3.81 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.3 t 38.96 78.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 37.4 p -80.61 -38.45 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -161.67 37.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 150.27 66.25 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.178 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.28 143.31 8.02 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.502 2.135 . . . . 0.0 111.929 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 90.4 mt -73.49 -23.96 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.306 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.5 -44.92 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 60.9 p -72.82 -55.61 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -54.2 -21.23 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -68.88 -63.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.9 mtt -54.97 -37.18 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.77 94.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 41.5 m -52.76 -57.87 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.18 -46.14 62.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.48 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -30.05 70.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.08 -43.52 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 17.4 t-80 -56.8 -33.5 66.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.67 -49.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.524 ' C ' ' H ' ' A' ' 536' ' ' GLY . 18.0 m-85 -77.94 0.47 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -49.98 -10.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -94.37 -41.74 4.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 534' ' ' PHE . 13.0 t -133.21 154.37 50.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 67.2 m -103.63 164.14 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 110.657 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 10.3 t-20 -155.27 140.27 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.48 65.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.498 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 7.3 m-20 -45.99 -57.98 3.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.341 . . . . 0.0 110.754 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.64 -27.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 3.9 m -81.24 -35.04 31.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -55.19 -34.81 64.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.7 m -83.39 -59.9 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.71 -45.02 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.27 -44.52 83.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.616 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -48.41 -41.15 28.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.296 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 513' ' ' ALA . 54.0 m-20 -66.63 -52.62 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.389 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.19 -31.33 0.37 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.9 mp -87.02 -41.24 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.56 -55.34 18.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 47.95 91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 556' ' ' ILE . 10.1 m -59.31 162.88 4.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -45.27 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.708 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.36 -5.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' A' ' 555' ' ' ALA . 7.9 pt-20 -57.32 -16.76 9.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.228 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -71.1 1.68 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -113.75 167.29 10.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.224 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.4 m -154.38 89.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -173.54 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.485 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -62.37 -26.95 68.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.4 p -48.94 -21.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -69.94 -44.5 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.33 -59.33 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.6 -45.69 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.24 -57.77 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.135 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -48.26 -45.14 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.31 -17.11 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.22 -57.53 2.35 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.495 ' CD1' ' N ' ' A' ' 572' ' ' ILE . 1.8 mp -64.02 -37.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 50.5 tp -44.15 -54.38 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 576' ' ' GLY . 7.5 m-85 -88.21 -18.96 27.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 11.4 ttt 60.38 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 164.58 68.43 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -74.31 -94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -165.01 -126.0 0.8 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -45.86 -21.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.02 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 92.3 t -58.24 -53.54 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.34 -42.15 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.07 -45.95 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.549 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 49.0 t -56.99 -61.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 585' ' ' LEU . 10.8 mp -46.13 -48.77 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' A' ' 586' ' ' GLU . 1.6 tm-20 -46.61 -39.04 10.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.373 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 11.1 m -68.32 -44.26 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.3 mt -66.09 -30.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.8 p -79.42 -14.7 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -79.18 -57.69 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.2 pt -73.59 -170.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.665 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -69.76 130.16 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 8.4 p80 -137.16 76.41 44.77 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -74.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.746 2.298 . . . . 0.0 111.914 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 10.5 ptp -91.52 -18.63 23.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.502 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 85.2 m -54.91 -24.67 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.1 m -45.4 -26.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.89 73.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.405 ' H ' HD11 ' A' ' 599' ' ' ILE . 4.6 mp -73.24 -29.81 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.73 -36.57 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.59 -64.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.68 -52.77 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.86 -56.76 7.32 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m -60.81 -22.57 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.0 t -99.64 80.93 2.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.6 mm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.2 tp -68.47 -67.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.62 -36.39 8.07 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.456 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 4.6 tp -86.65 -14.95 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -78.78 -7.55 88.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.22 -23.78 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.811 0.338 . . . . 0.0 110.387 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -79.94 -57.85 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -57.7 6.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.659 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.99 -15.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.658 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.665 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -52.22 -1.98 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.655 ' H ' ' C ' ' A' ' 498' ' ' ALA . 0.9 OUTLIER -37.32 -16.72 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.477 0.179 . . . . 0.0 111.391 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -75.91 26.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.588 ' C ' ' H ' ' A' ' 504' ' ' GLU . 52.5 m-20 -143.28 121.02 11.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.082 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -51.11 -5.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' A' ' 502' ' ' ASN . 28.4 tt0 -81.7 -44.98 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 110.574 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.24 -62.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.15 -22.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.6 96.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.82 -40.14 15.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.3 -24.52 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.7 mp -68.65 -66.33 1.06 Allowed Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.642 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -45.5 -30.06 5.54 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.139 1.892 . . . . 0.0 111.259 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.53 -40.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -84.76 -11.01 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.772 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -82.11 13.18 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 54.4 p 40.96 63.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.656 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.9 p -77.34 -31.02 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -170.61 44.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.65 151.56 28.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.33 145.6 2.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.447 2.098 . . . . 0.0 111.736 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 523' ' ' ALA . 19.7 mt -73.5 -30.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.48 ' O ' ' SD ' ' A' ' 525' ' ' MET . 41.7 mt-10 -41.31 -32.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 67.5 p -85.29 -34.7 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -67.63 -40.1 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.23 83.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.3 mpt? -71.11 -46.08 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.64 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.644 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.6 m -76.39 -44.62 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.64 -51.2 69.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.75 80.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -22.39 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -83.5 -39.04 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -79.64 -16.15 56.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.997 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -88.55 -34.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.445 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.55 -0.26 46.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -49.97 -18.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.499 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.81 -62.73 2.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.8 p -96.14 177.02 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 40.8 t -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 8.1 t-20 -172.16 124.96 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.73 -34.07 35.93 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 30.1 t0 -43.76 -37.93 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.617 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.97 -40.71 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.5 m -67.5 -32.17 72.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.6 m -62.24 -38.89 90.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.44 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.369 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -41.38 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 14.8 ttm -70.4 -35.12 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.82 -58.46 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.285 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -56.56 -41.0 76.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.316 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -56.25 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 12.7 mt -48.03 -30.16 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 553' ' ' ARG . 41.7 mt-10 -83.25 -56.23 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.676 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 552' ' ' GLU . 54.1 ttp180 30.28 75.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.26 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 556' ' ' ILE . 7.8 p -69.41 158.33 35.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -42.27 -18.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.107 0.48 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.57 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -52.35 -10.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.957 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 559' ' ' LYS . 1.0 OUTLIER -73.0 -16.63 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -43.05 -16.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.944 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 557' ' ' GLU . 8.3 ttpp -75.06 137.29 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 562' ' ' TRP . 52.8 p -82.72 174.98 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 8.8 t70 61.95 2.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.832 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.456 ' H ' ' C ' ' A' ' 560' ' ' THR . 74.2 t90 -81.17 -49.87 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.81 -28.44 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -62.95 -55.88 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -60.57 -45.39 94.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.84 -32.83 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.29 -53.45 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.0 mp -54.56 -44.58 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.56 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.99 -14.21 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.9 -48.49 5.45 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.45 -26.81 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.486 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 tp -67.88 -48.16 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -92.96 23.54 4.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.277 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 5.2 ttt -50.16 125.05 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.475 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 53.11 82.41 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.18 -168.24 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 580' ' ' GLN . . . -146.49 -133.99 2.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -47.37 -18.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 578' ' ' GLY . 3.8 tp-100 -57.2 -34.66 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.79 -47.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -50.15 -39.96 45.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.23 -50.1 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.32 -41.14 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.687 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.58 -54.9 36.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -44.37 -55.26 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 45.9 m -52.68 -50.41 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.16 -29.13 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.6 m -82.31 -21.45 36.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.9 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 21.8 pt -64.49 143.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.534 ' C ' ' HD1' ' A' ' 593' ' ' HIS . 27.5 tt0 -65.28 88.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.534 ' HD1' ' C ' ' A' ' 592' ' ' GLU . 13.5 m80 -137.22 82.83 28.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -72.48 -19.95 24.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.593 2.196 . . . . 0.0 111.848 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.99 -59.5 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 598' ' ' ALA . 51.1 m -47.47 -23.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 14.3 m -43.95 -21.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.616 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -64.96 -38.98 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 57.5 mt -80.12 -26.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -53.56 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.88 -30.81 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.14 -70.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.67 -14.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.58 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.37 -76.41 0.97 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 46.5 m -49.41 -32.02 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.66 48.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 490' ' ' ILE . 13.8 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 491' ' ' LEU . 10.9 mp -62.18 -67.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.432 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.12 -71.58 0.36 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 1.2 mp -44.63 -41.76 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.75 -65.77 2.66 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.1 pt -65.34 -10.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 111.392 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -69.5 -48.3 61.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.622 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.7 OUTLIER -49.98 -40.76 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.159 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.05 -4.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.223 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.97 -53.74 7.27 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.046 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 90.5 p -136.03 -67.03 0.53 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.915 0.857 . . . . 0.0 112.387 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.67 -29.23 4.74 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.435 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 0.1 OUTLIER 72.95 3.66 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.559 -179.634 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.23 -32.51 49.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -65.7 -47.12 76.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.295 0.569 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.06 -48.55 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.888 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 7.2 tp -54.88 -26.69 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.262 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.35 -44.1 75.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 508' ' ' LEU . 7.9 mp -87.1 -49.53 7.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.899 0.38 . . . . 0.0 111.313 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.49 -27.03 23.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.233 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 8.1 mt -64.66 -66.83 1.25 Allowed Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.37 -31.53 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.171 1.914 . . . . 0.0 111.377 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 58.4 mt -85.83 -30.16 6.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.517 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.97 -10.79 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.0 12.92 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 73.9 m 41.25 73.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.0 p -86.71 -33.81 19.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -158.59 18.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.819 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.84 154.16 80.03 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.176 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.82 149.16 1.22 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.566 2.177 . . . . 0.0 111.897 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 pt -73.53 -18.62 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.89 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 12.3 p -51.04 -43.66 60.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.96 66.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.43 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 59.3 mtt -52.13 -39.13 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.477 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.38 -53.19 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 m -53.52 -38.2 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.34 -46.19 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.1 73.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 533' ' ' VAL . 77.2 mt -57.84 -54.44 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.82 -35.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.61 59.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.486 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 530' ' ' LEU . 94.7 t -84.96 -34.91 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 536' ' ' GLY . 28.7 m-85 -90.31 0.08 57.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 14.5 p -49.97 -12.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.289 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -111.36 -47.01 0.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 7.9 p -85.2 177.28 7.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.458 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 82.9 m -123.29 167.99 13.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 3.2 m-20 168.81 120.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.194 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -77.26 -31.0 53.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -49.07 -31.83 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.319 . . . . 0.0 110.578 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 542' ' ' ILE . 92.1 mt -58.19 -44.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.5 m -71.48 -35.32 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.7 m -50.73 -59.04 4.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 60.1 p -62.44 -54.66 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.45 -41.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.052 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.5 tpt -58.66 -55.19 38.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -36.4 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -53.08 60.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.58 -47.39 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -71.15 -38.93 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.4 tp10 -72.91 -10.28 59.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -44.61 92.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.561 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.8 m -76.95 163.36 26.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.78 -8.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.18 -3.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.595 ' H ' ' C ' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -56.84 -23.37 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.262 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.06 1.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.641 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 557' ' ' GLU . 36.8 mmtt -73.89 -94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.428 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 60.5 p -116.3 -172.76 2.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -105.86 31.39 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -20.36 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.4 p -44.53 -37.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -58.3 -55.35 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.9 -34.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.43 -38.9 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -74.23 -37.43 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -31.79 73.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.27 -18.35 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.05 -58.66 2.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.5 tt -65.03 -25.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.793 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 tp -46.33 -52.46 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 576' ' ' GLY . 14.1 m-85 -87.08 13.31 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.78 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.434 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -156.64 81.49 0.16 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -146.55 122.95 11.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 582' ' ' ASP . . . -80.25 -36.1 25.05 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.34 -52.01 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.58 -48.18 67.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.12 -22.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 578' ' ' GLY . 31.1 t0 -72.48 -45.01 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.81 -43.29 79.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.93 -50.57 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 66.1 mt -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.482 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -44.74 -43.72 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.3 m -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.354 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.18 -37.61 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 23.2 t -51.56 -38.22 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.24 63.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.86 112.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 600' ' ' GLU . 12.7 pt-20 -155.76 140.92 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 157.4 58.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.87 -38.34 9.81 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.645 2.23 . . . . 0.0 111.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 595' ' ' MET . 1.2 mpt? -81.97 -40.89 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.2 m -44.53 -30.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.8 t -49.12 -40.93 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.79 77.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 43.6 mt -68.9 -44.14 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.432 ' OE1' ' OE2' ' A' ' 592' ' ' GLU . 51.2 mt-10 -53.15 -40.03 63.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.0 -25.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.2 -69.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.35 -28.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.62 -60.58 8.25 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.4 p -51.26 -35.83 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.1 t -79.27 62.85 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.704 0.288 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.73 -71.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.82 -48.01 24.42 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -74.61 -21.44 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.095 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.71 -48.31 61.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.6 tt -83.86 -30.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -67.68 -22.93 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.3 OUTLIER -43.4 -32.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.565 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -55.46 -7.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.637 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.19 -3.47 82.27 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 502' ' ' ASN . 4.9 m -44.18 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.712 0.291 . . . . 0.0 110.79 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 499' ' ' GLY . 17.1 mmtp -77.1 32.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.318 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 500' ' ' SER . 0.1 OUTLIER -147.85 155.0 41.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.232 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 -74.31 -4.94 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -78.85 -57.67 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.029 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.4 -62.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.939 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.28 -29.1 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.08 89.91 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.81 -27.44 25.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.68 0.276 . . . . 0.0 111.168 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -44.64 95.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.01 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mm? -50.33 -66.26 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.892 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.83 -57.36 2.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.191 1.927 . . . . 0.0 111.779 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -28.53 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.708 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -81.02 -17.27 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.16 12.38 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.8 m 44.12 56.46 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 21.6 p -51.96 -45.99 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -173.27 26.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.42 152.38 45.22 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.333 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.72 147.26 3.17 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.499 2.132 . . . . 0.0 111.85 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 524' ' ' ALA . 73.2 mt -63.4 -41.78 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -45.6 -52.12 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 6.7 m -61.58 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.26 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -80.66 -36.72 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.8 tpt -72.67 -47.88 43.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.68 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.458 ' HG ' ' H ' ' A' ' 528' ' ' LEU . 31.3 p -56.71 -45.67 81.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 527' ' ' SER . 1.1 tt -52.41 -48.26 65.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.95 92.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.67 -48.45 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.49 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -69.64 -43.55 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.03 -39.23 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 536' ' ' GLY . 2.4 m-85 -85.64 0.67 51.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.552 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.7 p -49.84 -12.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.315 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -98.27 -45.53 2.35 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.2 t -97.84 177.2 5.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 537' ' ' THR . 12.3 t -141.93 135.64 29.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -143.91 143.18 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.35 78.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.5 -57.57 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.4 mt -48.4 -40.58 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.1 m -59.27 -46.82 87.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 7.2 m -56.09 -29.43 60.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -55.57 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 tp -55.67 -32.49 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.606 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -72.43 -49.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.277 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -47.12 -41.59 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.87 -38.25 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.04 -62.87 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 553' ' ' ARG . 5.5 mm-40 -53.73 -56.27 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.734 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.469 HH22 ' CD1' ' A' ' 599' ' ' ILE . 6.8 mtt180 33.59 88.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.526 ' C ' ' H ' ' A' ' 556' ' ' ILE . 3.6 m -65.16 161.75 18.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.502 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.69 -10.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.526 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.41 -11.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.381 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 559' ' ' LYS . 11.2 pt-20 -58.03 -16.85 14.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.2 pp -39.56 -28.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 557' ' ' GLU . 26.4 ttmt -88.67 133.8 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.8 t -116.77 34.49 5.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.32 -38.59 3.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -70.72 -24.94 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.62 -31.06 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.13 -44.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.424 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.62 -49.49 53.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.8 tp -59.29 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -51.35 -33.67 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.93 -49.58 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.18 52.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.66 -19.91 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.91 -58.67 2.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 573' ' ' LEU . 18.4 tt -58.45 -47.66 87.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . 0.449 ' N ' ' CG2' ' A' ' 572' ' ' ILE . 25.9 tp -48.28 -60.6 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 3.7 m-85 -83.3 9.49 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.245 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 28.0 mtt 54.75 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 149.92 38.01 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.23 120.93 3.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 135.41 139.64 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.84 -16.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.95 -37.26 68.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.443 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.34 -37.11 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.62 -42.88 84.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -62.87 -50.9 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.1 -45.37 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.94 -24.8 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.312 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.65 -41.88 62.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 62.2 m -64.86 -50.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.425 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.8 mt -54.24 -49.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 28.6 t -49.55 -49.38 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.21 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.87 83.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.459 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 592' ' ' GLU . 1.1 pp20? -130.1 143.77 50.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 595' ' ' MET . 5.6 m-70 -110.17 156.8 39.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.168 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.79 -18.87 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.612 2.208 . . . . 0.0 111.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 595' ' ' MET . 0.0 OUTLIER -92.85 -50.81 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 13.5 m -58.18 -28.9 65.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.412 ' OG ' ' OE1' ' A' ' 592' ' ' GLU . 3.3 m -48.19 -28.79 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.89 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.469 ' CD1' HH22 ' A' ' 553' ' ' ARG . 87.8 mt -68.3 -36.71 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 604' ' ' GLY . 50.7 tt0 -59.02 -45.99 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.5 -59.33 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -51.78 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.24 -30.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -86.83 19.19 30.88 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m -135.03 -57.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.0 49.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.51 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 494' ' ' GLY . 23.7 mm . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.713 0.292 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tt -65.0 -76.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.127 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.12 -50.17 22.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.8 tp -71.06 -12.03 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.049 0.452 . . . . 0.0 110.021 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -65.02 -48.43 71.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 19.6 tt -87.88 -12.84 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.79 -23.98 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 499' ' ' GLY . 16.6 m-85 -55.26 -5.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.49 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.12 -19.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.609 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -66.16 -2.53 14.11 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 502' ' ' ASN . 0.4 OUTLIER -38.87 -18.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.629 0.252 . . . . 0.0 111.18 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 499' ' ' GLY . 1.3 mptm? -76.56 25.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.0 0.429 . . . . 0.0 109.933 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.521 ' H ' ' C ' ' A' ' 500' ' ' SER . 28.0 p30 -139.7 155.94 47.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.26 -3.9 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.41 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -81.34 -42.02 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.797 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 15.4 t -71.48 -62.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . 0.513 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -76.35 -19.54 78.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.98 -56.85 3.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.67 -35.55 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mm? -58.2 -65.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.047 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.513 ' CD ' ' O ' ' A' ' 507' ' ' GLY . 2.8 Cg_endo -46.93 -59.84 1.1 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.347 2.031 . . . . 0.0 112.26 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 10.9 pt -58.93 -27.7 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.883 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.06 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.83 34.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 517' ' ' ASP . 12.3 t -137.48 77.81 1.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 518' ' ' LEU . 44.8 p -53.1 -10.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 515' ' ' SER . 22.2 m-20 -40.96 -21.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -124.53 155.21 69.46 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.199 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.57 143.51 3.92 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.565 2.177 . . . . 0.0 111.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.5 pt -73.42 -15.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.446 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -53.03 -40.75 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.6 m -82.68 -46.92 12.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.03 79.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -58.95 -58.33 9.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.1 tpt -52.54 -48.84 65.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.236 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.93 71.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.663 ' HG ' ' N ' ' A' ' 528' ' ' LEU . 83.4 p -54.12 -46.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.663 ' N ' ' HG ' ' A' ' 527' ' ' SER . 1.4 tt -45.01 -54.5 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.257 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.68 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.32 -48.49 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.27 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -46.02 -28.79 1.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -81.87 -69.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.626 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 2.1 m-85 -61.94 0.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.671 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.0 p -49.74 -27.13 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.429 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.09 -42.96 8.4 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 61.7 p -93.86 177.4 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.48 125.96 17.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -147.38 149.98 33.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.53 -33.96 37.13 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.67 -44.09 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.761 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.57 -56.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.659 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 29.6 m -53.25 -32.61 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 19.8 m -60.34 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -52.85 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.8 -51.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -63.36 -42.4 98.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.59 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.043 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.06 -36.65 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -48.81 -40.34 28.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.637 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.02 -59.1 2.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.488 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' ARG . 61.2 tt0 -45.26 -55.77 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 552' ' ' GLU . 51.7 ttp180 36.1 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 556' ' ' ILE . 26.3 p -67.97 145.82 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.459 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.59 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -41.95 -21.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 0.0 109.789 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.2 OUTLIER -55.59 -3.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.902 179.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.59 ' H ' ' C ' ' A' ' 555' ' ' ALA . 1.3 pt-20 -69.56 -16.92 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.317 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 1.2 pt? -48.55 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.985 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.563 ' H ' ' C ' ' A' ' 557' ' ' GLU . 8.1 tttp -93.71 120.16 33.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 561' ' ' ASP . 5.7 t -82.45 -169.36 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 560' ' ' THR . 6.1 t0 84.62 -64.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 559' ' ' LYS . 2.8 p-90 -49.45 -33.01 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.792 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.17 -22.21 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -69.88 -55.79 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.71 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.6 -30.3 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.02 -55.28 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.716 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.33 -38.06 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.88 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 2.4 tp -62.05 -20.89 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -83.98 -52.57 3.6 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 4.9 mm -71.4 -21.95 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.475 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.0 tp -50.45 -59.04 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.443 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 13.0 m-85 -73.22 -3.62 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 52.82 80.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 77.86 -141.62 25.57 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.694 ' NE2' ' H ' ' A' ' 577' ' ' GLN . 0.0 OUTLIER -73.68 -173.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.563 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 149.65 121.31 1.08 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -41.41 -25.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 578' ' ' GLY . 82.6 mm-40 -55.91 -54.95 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.61 -56.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.69 -39.72 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.63 -44.75 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.83 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.42 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.1 mt -49.76 -41.5 44.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.12 -27.73 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.7 m -77.2 -52.12 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.21 -33.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 40.2 t -74.26 -34.69 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.66 -61.84 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 26.3 pt -72.13 174.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 5.3 mp0 -63.62 131.21 47.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.51 ' ND1' ' OG ' ' A' ' 597' ' ' SER . 3.0 p80 -137.2 75.6 46.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -66.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.774 2.316 . . . . 0.0 111.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 27.7 mtt -94.46 -9.65 34.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.9 m -77.75 -34.29 52.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.51 ' OG ' ' ND1' ' A' ' 593' ' ' HIS . 70.0 m -43.91 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -63.59 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.29 -30.27 45.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -58.62 -61.63 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.44 -23.96 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.9 -55.01 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.33 -49.22 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -47.16 -35.85 9.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.6 t -77.5 -34.04 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 606' ' ' CYS . 43.7 t -79.04 13.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.467 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 6.9 p -146.78 112.01 5.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.597 ' HZ1' ' CB ' ' A' ' 484' ' ' LYS . 7.3 mtmp? -59.55 143.0 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.483 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 485' ' ' ILE . 12.5 pt -47.77 -33.96 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.627 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.519 ' OG ' ' NZ ' ' A' ' 484' ' ' LYS . 13.6 p -73.12 -40.92 64.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.622 ' HG ' ' N ' ' A' ' 488' ' ' ALA . 88.2 p -59.84 -45.86 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . 0.622 ' N ' ' HG ' ' A' ' 487' ' ' SER . . . -58.8 -49.36 77.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -51.61 -46.29 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.91 -37.58 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.6 tt -49.52 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.49 -40.51 31.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.6 -31.17 71.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 109.969 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.33 80.39 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.45 -38.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 0.0 110.422 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.611 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.22 -23.41 54.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -53.87 -1.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.71 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.611 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -56.23 -35.64 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.555 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 501' ' ' LYS . . . -83.27 -3.53 90.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 502' ' ' ASN . 68.5 m -45.1 -12.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.538 ' H ' ' C ' ' A' ' 499' ' ' GLY . 56.9 mttp -74.89 33.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.399 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 504' ' ' GLU . 1.4 m-80 -120.0 128.62 53.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.151 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -46.41 -12.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 502' ' ' ASN . 31.4 tt0 -76.87 -55.44 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.235 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.63 -37.57 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.92 -30.06 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.66 -27.66 56.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.91 -44.54 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 513' ' ' ALA . 3.6 mm? -61.78 -49.74 75.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -45.34 -66.05 0.55 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.98 -41.32 26.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.136 1.89 . . . . 0.0 111.699 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.35 -21.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -85.35 -18.7 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.11 56.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 26.8 t 44.16 81.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.7 p -73.97 -12.45 60.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.08 -57.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.66 149.89 1.02 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.73 139.97 13.21 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.3 2.0 . . . . 0.0 111.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 16.8 pt -73.33 -14.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.276 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.68 -55.13 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 22.5 p -61.87 -40.17 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.34 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.04 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.1 mmt -62.78 -49.63 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.44 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 25.8 m -56.76 -32.32 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.86 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.28 -46.9 36.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.296 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.14 -52.31 64.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -42.18 -26.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 531' ' ' ALA . 60.0 t -88.82 -59.47 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 536' ' ' GLY . 16.9 m-85 -70.49 0.43 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.6 p -49.96 -13.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -107.25 -35.33 2.72 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 534' ' ' PHE . 33.4 p -99.97 177.24 5.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.0 p -138.81 150.07 45.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 56.1 t-20 -160.78 138.42 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -79.0 -17.28 77.35 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -62.59 -57.79 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -45.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.453 ' HG1' ' CD2' ' A' ' 573' ' ' LEU . 11.0 m -56.76 -39.56 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.326 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.3 m -51.78 -55.59 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.1 m -63.49 -43.61 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.85 -26.0 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.488 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 9.3 tpt -76.91 -50.69 12.72 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -51.98 -36.54 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -71.15 -36.38 72.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.511 ' O ' ' NE ' ' A' ' 553' ' ' ARG . 0.2 OUTLIER -54.54 -35.79 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.2 mt -88.95 -28.98 19.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -75.46 -7.37 53.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 550' ' ' PHE . 85.4 mtm180 -40.59 105.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.751 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 556' ' ' ILE . 21.3 p -79.7 166.31 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -40.41 -22.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.307 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -53.89 -7.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.827 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.618 ' C ' ' H ' ' A' ' 559' ' ' LYS . 2.6 pt-20 -65.37 -16.41 63.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.324 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -53.46 -0.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.994 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.618 ' H ' ' C ' ' A' ' 557' ' ' GLU . 40.2 mmtt -80.89 -168.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.767 0.317 . . . . 0.0 110.254 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 33.0 m -165.23 75.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -173.42 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.545 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -64.55 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.545 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.2 p -65.29 -42.02 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.737 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -60.56 -35.44 76.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.95 -39.6 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.43 -42.8 99.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.81 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.462 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.79 -41.01 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.36 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.87 -27.32 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.67 -29.73 28.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.447 HD12 HG22 ' A' ' 572' ' ' ILE . 90.0 mt -71.41 -33.22 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.453 ' CD2' ' HG1' ' A' ' 543' ' ' THR . 3.5 mp -61.86 -27.72 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 28.1 m-85 -118.8 35.05 4.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.641 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.7 ttt -50.88 -32.75 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -90.81 25.91 12.38 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.17 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 166.2 137.09 2.14 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.48 -25.48 6.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -56.04 -44.59 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.96 -41.7 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 582' ' ' ASP . 51.6 t0 -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.428 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.75 -45.35 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.21 -61.08 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.4 mp -50.01 -43.66 50.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.64 -31.89 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -71.39 -40.22 70.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 43.2 mt -60.79 -43.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 33.0 t -63.94 -30.34 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.15 96.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 62.9 mt -98.78 123.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' A' ' 593' ' ' HIS . 3.2 tm-20 -62.61 129.4 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.563 ' O ' ' O ' ' A' ' 594' ' ' PRO . 0.1 OUTLIER -136.95 158.27 73.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.366 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.609 ' C ' ' H ' ' A' ' 596' ' ' THR . 2.5 Cg_endo -47.68 -160.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.943 2.428 . . . . 0.0 112.298 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 597' ' ' SER . 10.7 ptt? -55.83 -0.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.609 ' H ' ' C ' ' A' ' 594' ' ' PRO . 8.3 m -42.52 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 595' ' ' MET . 20.2 m -46.89 -30.45 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.46 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -65.21 -40.98 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.14 -40.92 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.77 -33.81 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.406 ' O ' ' OG ' ' A' ' 605' ' ' SER . 2.1 tt -62.97 -67.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.85 -24.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.3 -29.87 71.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 602' ' ' LEU . 83.6 p -77.84 -39.39 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.682 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.14 85.65 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -171.22 -148.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 610' ' ' GLY . 26.5 m-85 -45.44 128.38 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 5.9 t -74.24 43.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 608' ' ' TYR . . . -163.5 -38.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 49.9 p 46.8 72.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.056 -1.414 . . . . 0.0 110.883 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.435 ' O ' ' OG ' ' A' ' 487' ' ' SER . 0.0 OUTLIER -170.38 120.7 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 73.2 tttt 57.66 105.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.474 ' H ' ' CD1' ' A' ' 485' ' ' ILE . 3.0 mp -40.49 -36.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 12.9 m -47.92 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 483' ' ' THR . 0.0 OUTLIER -48.45 -51.01 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -52.67 -37.56 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.68 95.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 494' ' ' GLY . 13.5 mm -67.63 -43.24 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.446 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.0 tp -49.88 -61.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.22 -67.86 1.96 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -22.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.053 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -61.63 -79.22 0.14 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 23.2 pt -62.24 3.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.535 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -79.83 -63.55 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.71 ' CD1' ' N ' ' A' ' 498' ' ' ALA . 25.3 p90 -48.69 -49.24 38.63 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.871 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.71 ' N ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.83 -6.05 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.629 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -47.2 -54.8 9.47 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.538 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.9 t -136.87 -65.34 0.55 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.657 0.729 . . . . 0.0 112.54 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.7 OUTLIER -118.65 -28.01 5.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.333 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 0.4 OUTLIER 85.81 0.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 36.3 p-10 -78.51 -20.04 51.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.99 -56.2 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 110.169 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.34 -27.71 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.86 -35.29 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.379 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.471 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -74.63 -25.63 69.5 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 mp -87.09 -44.23 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.5 OUTLIER -62.8 -45.03 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.499 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.0 mm? -48.16 -65.91 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.39 -44.9 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.229 1.953 . . . . 0.0 111.784 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.418 HG22 HD13 ' A' ' 512' ' ' ILE . 95.3 mt -76.08 -18.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.01 -36.09 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.648 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.93 2.14 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 517' ' ' ASP . 32.2 m -93.8 61.37 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -12.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 515' ' ' SER . 8.6 t70 -42.6 -31.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.62 151.11 38.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.42 147.05 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.422 2.081 . . . . 0.0 111.746 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 34.8 pt -71.37 -24.7 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -51.26 -32.03 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.427 ' H ' ' HG1' ' A' ' 522' ' ' THR . 0.2 OUTLIER -79.2 -51.11 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.89 -26.22 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -59.22 -59.24 5.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.2 mmt -57.23 -56.86 16.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.9 t -64.34 -36.45 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.17 -55.78 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 532' ' ' HIS . . . -57.19 -49.41 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.95 -39.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.361 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.28 73.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 529' ' ' ALA . 0.6 OUTLIER -73.5 -15.01 61.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.293 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 63.2 t -85.3 -57.3 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.42 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 1.5 m-85 -77.13 1.05 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.617 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.28 -12.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.396 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -91.44 -51.88 2.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 55.9 p -99.37 177.11 5.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.465 HD21 ' H ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -165.76 117.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.67 -19.74 79.74 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.465 ' H ' HD21 ' A' ' 539' ' ' ASN . 41.1 t0 -55.52 -42.58 74.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.75 -51.78 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.722 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 5.3 m -54.77 -22.83 15.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 2.8 m -71.29 -51.51 24.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.433 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.413 ' H ' ' HG ' ' A' ' 545' ' ' SER . 5.8 p -65.57 -43.99 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.185 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.06 -55.01 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.147 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.43 -41.87 86.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.574 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -55.88 -51.28 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.89 -36.63 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -57.71 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -49.3 -24.27 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 553' ' ' ARG . 6.4 tp10 -81.61 -55.57 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.811 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.7 mtm180 43.91 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 556' ' ' ILE . 20.6 p -73.56 160.74 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.79 -14.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.633 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.456 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -52.93 -10.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' A' ' 559' ' ' LYS . 47.3 mm-40 -59.46 -17.03 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.399 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.69 2.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.745 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 557' ' ' GLU . 63.4 mttt -124.46 142.18 51.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.91 98.23 5.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 562' ' ' TRP . 17.6 p30 -173.98 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.477 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 6.7 p-90 -67.59 -34.38 76.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.2 t -46.35 -31.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.468 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -56.02 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.53 -37.53 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.27 -44.5 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.08 -55.43 29.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 8.8 mp -49.39 -44.09 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.43 46.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.45 -16.54 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.77 -44.06 7.99 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.0 mt -81.99 -30.46 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.0 tp -47.13 -36.73 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 576' ' ' GLY . 9.7 m-85 -105.28 29.72 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 574' ' ' TYR . 9.1 ptp 32.04 34.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 86.33 -73.63 2.49 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -101.72 155.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.52 127.11 1.16 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 3.1 mp0 -46.79 -20.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.491 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -55.85 -45.02 78.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.38 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.65 -49.04 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 -38.87 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.64 -44.15 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.613 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.29 -61.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 69.7 mt -46.83 -45.73 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -48.62 77.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.2 mt -57.75 -42.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.305 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.7 p -68.04 -32.79 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -53.37 -58.28 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 591' ' ' ILE . 89.6 mt -84.43 153.84 3.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.45 112.29 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.714 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -137.32 87.19 18.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.311 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.51 -8.77 24.37 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.377 2.051 . . . . 0.0 111.889 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 6.1 ttt -97.49 -63.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.329 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 598' ' ' ALA . 4.2 m -51.8 -24.02 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 34.5 t -44.04 -22.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -68.06 -53.85 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.87 -25.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.43 -52.75 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.9 -33.6 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -68.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.4 t -56.01 -21.07 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -78.22 -56.44 3.71 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.6 m -51.32 -35.91 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.43 91.8 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -162.25 -172.05 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.519 ' C ' ' HG1' ' A' ' 609' ' ' THR . 4.6 p90 -56.6 132.72 52.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.519 ' HG1' ' C ' ' A' ' 608' ' ' TYR . 0.2 OUTLIER -156.48 -153.44 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 77.79 32.7 44.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 45.7 p -84.9 25.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.773 0 CA-C-O 118.028 -1.429 . . . . 0.0 110.931 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 64.2 p -44.99 114.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -55.19 132.19 47.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.8 tt -45.76 -24.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 489' ' ' ALA . 68.4 p -43.58 -59.16 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 60.6 p -40.74 -47.31 2.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.88 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 486' ' ' SER . . . -68.67 -49.4 59.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.631 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 494' ' ' GLY . 1.8 mp -55.2 -57.16 8.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.466 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.87 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -40.88 -81.14 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.3 tp -45.36 -17.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.203 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.46 -89.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.405 ' HA ' ' CE1' ' A' ' 497' ' ' PHE . 14.4 tt -48.52 -8.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.59 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -73.93 -37.65 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.453 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -50.98 -10.84 0.08 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.862 173.211 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -84.12 -4.21 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.17 -54.98 6.81 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.759 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -137.15 -67.55 0.49 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.227 1.013 . . . . 0.0 112.726 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.621 ' O ' ' ND2' ' A' ' 502' ' ' ASN . 10.9 tmtt? -120.83 -28.24 4.88 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.628 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 501' ' ' LYS . 0.6 OUTLIER 94.14 2.46 0.06 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.578 0.549 . . . . 0.0 110.654 -179.291 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -78.36 -23.52 46.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.753 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.91 -49.84 66.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 110.114 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.7 t -64.78 -24.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.904 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.19 -53.81 10.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.176 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -54.25 -23.81 27.05 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.12 -51.75 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.998 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 513' ' ' ALA . 6.0 mt -58.98 -46.12 88.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.2 mm? -47.48 -66.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.9 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 507' ' ' GLY . 2.9 Cg_endo -46.93 -37.86 22.68 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.065 1.843 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.1 mt -80.22 -23.15 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.447 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.71 -16.46 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.89 -0.72 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 517' ' ' ASP . 39.9 t -115.54 62.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.403 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 t -49.59 -10.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 515' ' ' SER . 48.3 t0 -39.1 -39.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.58 154.97 65.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.051 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.69 127.86 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.469 2.113 . . . . 0.0 111.804 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.24 -28.05 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -45.97 -43.04 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 26.1 m -66.85 -37.4 84.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.311 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.25 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.641 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 58.3 mtp -56.2 -38.87 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.72 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 67.6 m -65.19 -54.42 29.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.405 HD23 ' H ' ' A' ' 528' ' ' LEU . 2.9 mm? -48.63 -41.29 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.073 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.45 80.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 2.9 mt -69.23 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -50.28 -31.46 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.43 -17.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.847 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.527 ' CZ ' ' OD1' ' A' ' 502' ' ' ASN . 6.7 m-85 -97.27 -0.82 45.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 9.9 p -50.09 -11.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.16 -60.81 0.95 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 0.0 OUTLIER -103.03 176.63 5.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.632 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.504 ' N ' ' OG1' ' A' ' 537' ' ' THR . 30.2 p -131.15 153.69 49.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.525 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 54.3 t-20 -148.58 134.58 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.17 -21.55 77.14 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.525 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 46.4 m-20 -53.58 -49.52 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.84 -35.99 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.4 m -67.49 -19.0 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.257 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 3.3 m -77.02 -49.76 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 12.4 p -69.65 -30.87 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.065 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.85 -58.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.301 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -29.83 59.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.43 -47.43 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.28 -25.91 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.63 -55.02 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.1 -36.75 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 553' ' ' ARG . 1.9 tp10 -78.29 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 39.74 95.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 556' ' ' ILE . 11.4 m -68.4 167.17 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.523 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.32 -7.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -60.3 -1.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' A' ' 559' ' ' LYS . 10.9 pt-20 -70.79 -16.71 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.354 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -47.06 -10.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.025 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 557' ' ' GLU . 58.9 mttm -94.27 138.66 32.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.399 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.8 m -104.21 -17.2 14.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.5 -9.72 46.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -81.77 -46.9 13.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.62 -31.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -59.92 -55.81 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.12 -56.77 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.449 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 34.1 tp -46.79 -47.35 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.78 -42.44 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.19 -64.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 5.2 mt -43.49 -17.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -84.16 -40.15 8.77 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 569' ' ' ALA . 96.3 mt -65.53 -35.76 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.7 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 -55.32 23.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 12.8 m-85 -99.43 2.89 45.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 571' ' ' GLY . 9.5 ttp 43.5 26.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 67.18 48.9 56.73 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -172.52 133.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.633 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 125.63 103.46 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.595 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 20.7 mp0 -42.72 -20.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 578' ' ' GLY . 55.3 tp60 -55.46 -37.99 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 4.8 p -66.78 -42.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.535 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.0 OUTLIER -49.84 -38.25 34.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.991 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.11 -43.41 78.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 86.8 t -54.72 -34.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.355 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.69 -48.21 64.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.204 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -47.63 -31.75 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 33.6 m -73.85 -52.96 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 588' ' ' ILE . 93.4 mt -56.43 -23.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.476 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.7 t -77.7 -49.05 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.33 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 591' ' ' ILE . 1.5 mp -76.86 128.9 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.483 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 3.2 pt-20 -59.15 97.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 1.8 m-70 -137.14 81.85 31.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.19 -21.87 19.78 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.616 2.21 . . . . 0.0 111.585 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.4 mtm -75.71 -49.13 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 p -79.01 -23.6 44.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 13.3 t -43.97 -32.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.53 78.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.161 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.19 -39.91 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.366 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 4.8 tm-20 -49.96 -34.54 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.21 -54.94 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 9.7 mp -49.2 -43.42 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.62 -24.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.49 -36.9 58.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.0 m -81.03 -58.46 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 31.9 t -74.77 87.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -163.91 -113.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 124.06 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.354 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 72.6 p -59.43 122.46 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.431 ' O ' ' OG1' ' A' ' 611' ' ' THR . . . 165.32 15.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 610' ' ' GLY . 17.4 p 55.54 162.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.584 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.006 -1.441 . . . . 0.0 110.939 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.4 p -138.18 -104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 486' ' ' SER . 52.4 mttm -79.71 -119.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 5.1 mp 47.94 -87.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 484' ' ' LYS . 86.8 p -53.0 -53.37 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 9.2 p -58.53 -36.08 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.62 -49.0 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.2 mm -56.5 -55.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.25 -41.62 93.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.246 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -47.98 -83.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.29 -20.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.417 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.636 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -58.47 -93.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.7 tt -45.67 -9.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.605 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -74.55 -32.92 62.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.511 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -51.73 -9.2 0.08 Allowed 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.785 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -83.59 -4.08 58.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.19 -54.54 7.1 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.715 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' A' ' 501' ' ' LYS . 78.1 p -136.7 -67.6 0.5 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.181 0.99 . . . . 0.0 112.749 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.617 ' H ' ' HG ' ' A' ' 500' ' ' SER . 0.0 OUTLIER -120.91 -28.85 4.73 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.76 -179.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 3.0 p-10 92.86 7.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.625 0.578 . . . . 0.0 110.511 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -37.23 44.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 504' ' ' GLU . 1.3 mp0 -51.95 -59.61 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 -39.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.85 -28.37 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.07 -27.04 58.93 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.7 -46.36 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.071 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 513' ' ' ALA . 8.1 mp -61.38 -48.38 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.6 mm? -45.39 -66.41 0.5 Allowed Pre-proline 0 C--N 1.329 -0.312 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.661 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -47.09 -47.02 17.77 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.132 1.888 . . . . 0.0 111.77 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.89 -22.05 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.51 -31.89 37.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.95 35.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 517' ' ' ASP . 53.0 p -138.02 73.65 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 35.9 p -49.56 -10.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 515' ' ' SER . 9.3 m-20 -38.96 -54.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.415 ' CD2' ' H ' ' A' ' 518' ' ' LEU . 0.1 OUTLIER -83.56 152.73 64.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.24 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.14 153.85 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.444 2.096 . . . . 0.0 111.785 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 24.6 pt -71.18 -14.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.63 -41.58 99.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.578 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.1 p -69.08 -55.77 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.31 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -67.33 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.9 mmt -48.86 -41.18 32.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.44 92.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.343 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.9 m -60.92 -45.69 93.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.99 -58.26 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.196 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.29 -34.48 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -58.6 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -57.15 -23.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.542 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.5 -51.94 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.52 ' CG2' ' CD1' ' A' ' 497' ' ' PHE . 4.1 p -79.46 -29.34 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.04 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.515 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 0.8 OUTLIER -86.0 0.42 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.526 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.48 -14.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.82 -53.46 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.515 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 19.2 p -87.78 177.36 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 0.0 110.333 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.4 t -149.48 156.82 42.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -162.48 144.67 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.14 -41.38 97.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -45.39 -55.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.6 mt -45.34 -46.89 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.1 m -64.34 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.1 m -63.17 -52.8 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -35.38 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.01 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.56 -50.14 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.46 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -50.36 -35.32 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -46.35 85.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.44 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.59 -47.42 82.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 553' ' ' ARG . 29.6 tp10 -58.45 -56.06 26.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.777 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 552' ' ' GLU . 43.4 ttp180 30.48 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 556' ' ' ILE . 18.0 p -80.25 155.73 27.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.521 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.42 -7.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.422 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.09 -8.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 559' ' ' LYS . 9.4 mm-40 -60.07 -17.48 39.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.234 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 1.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.819 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' A' ' 557' ' ' GLU . 23.1 ttmt -65.61 -137.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.464 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 72.5 p -101.77 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.99 69.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -67.83 -22.95 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.7 p -48.84 -21.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.654 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -66.7 -55.95 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.707 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -56.55 -36.81 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.74 -26.64 67.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.71 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.3 -28.94 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -73.28 -56.22 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.99 -19.62 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.38 -56.11 3.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.82 -22.02 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.669 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.46 -58.51 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 576' ' ' GLY . 40.0 m-85 -78.98 -30.95 44.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 25.0 ttp 61.01 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -73.04 75.06 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -49.08 136.86 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.67 -147.85 6.35 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.7 -26.57 57.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.626 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -55.82 -50.25 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.42 -51.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -45.42 -36.72 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.77 -41.25 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.62 -56.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 585' ' ' LEU . 10.5 mp -55.23 -45.38 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -51.26 -36.41 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.4 m -75.13 -47.8 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.39 -38.05 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.7 t -76.95 -20.54 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -67.51 -59.96 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 22.1 pt -76.97 167.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.59 91.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.679 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.98 78.98 58.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.188 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.432 ' O ' ' OG ' ' A' ' 597' ' ' SER . 3.3 Cg_exo -74.08 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.77 2.313 . . . . 0.0 112.067 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.418 ' C ' ' N ' ' A' ' 597' ' ' SER . 12.7 tpt -44.08 -52.86 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.617 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 598' ' ' ALA . 3.0 m -43.58 -23.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 594' ' ' PRO . 42.6 p -43.68 -22.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 596' ' ' THR . . . -65.43 -40.91 93.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 92.4 mt -77.8 -28.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.422 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -58.34 -49.4 77.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.39 -31.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.39 -70.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.39 -42.9 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -53.41 -65.5 3.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 17.4 t -49.21 -46.12 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.38 88.33 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -130.41 -166.87 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.47 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 611' ' ' THR . 5.4 p -72.79 -54.03 9.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 74.81 -14.8 4.25 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' THR . . . . . 0.459 ' HG1' ' N ' ' A' ' 612' ' ' GLY . 6.4 p -146.35 -154.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . 0.459 ' N ' ' HG1' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.219 -0.821 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.3 p -71.75 151.14 43.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -66.29 102.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.422 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.46 -16.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.67 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 71.7 p -58.27 -40.55 82.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 60.1 p -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.678 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.56 45.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.65 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.538 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.54 -31.47 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -73.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.22 -40.44 7.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.496 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.4 mp -65.89 -45.34 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.15 -43.92 73.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.6 pt -83.88 -4.81 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.64 -44.52 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 0.3 OUTLIER -58.28 -43.9 88.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -48.3 -5.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.606 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.89 -53.63 7.26 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.838 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.1 m -136.07 -67.04 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.674 0.737 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 -28.96 4.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.489 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.599 HD21 ' CG1' ' A' ' 533' ' ' VAL . 0.1 OUTLIER 72.69 17.64 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 504' ' ' GLU . 3.4 p30 -78.29 -54.46 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.505 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 503' ' ' ASP . 44.3 tt0 -46.02 -58.8 3.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.071 0.462 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -24.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 503' ' ' ASP . 0.2 OUTLIER -61.62 -53.14 60.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.418 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.418 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -62.05 -23.88 64.36 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.68 -37.4 18.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.019 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.3 OUTLIER -64.04 -50.19 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 3.6 mp -45.75 -65.56 0.64 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.713 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.66 -40.23 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.206 1.937 . . . . 0.0 111.59 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.69 -21.44 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.51 -15.56 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.784 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.82 0.4 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.2 t 41.71 58.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.4 p -65.77 -37.77 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -146.73 9.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 519' ' ' PRO . 0.1 OUTLIER -109.8 177.56 1.21 Allowed Pre-proline 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 518' ' ' LEU . 3.0 Cg_exo -77.37 153.25 31.02 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.625 2.217 . . . . 0.0 111.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.1 pt -72.37 -27.49 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.97 -63.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 11.9 m -50.71 -38.11 45.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.75 63.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.06 -52.01 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.507 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 5.0 mmt -54.2 -40.88 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.32 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.402 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 36.3 t -67.39 -44.26 79.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.5 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.4 -51.86 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.34 -31.62 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -50.64 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.43 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.424 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 4.4 m-70 -58.25 -37.3 74.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.599 ' CG1' HD21 ' A' ' 502' ' ' ASN . 91.0 t -75.17 -65.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.748 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 537' ' ' THR . 3.5 m-85 -61.68 0.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.3 p -49.53 -17.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.128 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -101.43 -42.84 2.27 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 534' ' ' PHE . 17.4 p -90.35 177.22 6.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 94.5 m -130.75 155.61 46.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 0.2 OUTLIER -176.75 118.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.137 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.74 -31.84 62.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.465 ' O ' ' OG1' ' A' ' 544' ' ' THR . 5.8 t0 -46.17 -42.92 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.553 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.54 -28.66 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.8 m -79.12 -30.49 43.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 541' ' ' ASP . 42.3 p -60.45 -53.29 59.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 5.7 t -61.84 -50.4 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.056 0.455 . . . . 0.0 109.862 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.41 -34.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.09 -31.56 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.286 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.56 -36.62 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.328 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.5 -47.09 43.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.266 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -47.45 -31.42 4.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.93 -36.88 30.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 553' ' ' ARG . 21.2 tt0 -63.1 -55.93 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 552' ' ' GLU . 13.4 mmm180 27.95 81.31 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.455 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.63 ' C ' ' H ' ' A' ' 556' ' ' ILE . 1.0 OUTLIER -91.28 148.03 22.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.26 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -55.62 -1.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.481 . . . . 0.0 110.177 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.63 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -69.3 -21.0 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -23.39 61.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.034 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.53 -37.76 12.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.377 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -55.08 -63.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 75.4 p -93.0 -160.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -140.69 39.9 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 1.2 p-90 -53.86 -25.51 20.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.411 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 8.2 p -47.21 -39.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.704 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.22 -56.01 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -59.78 -21.45 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.682 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -22.93 50.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.53 19.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.75 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 568' ' ' LEU . 3.9 mm? -71.19 -27.84 63.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.662 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -75.98 -44.45 39.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 11.7 tp -77.51 -20.81 53.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -80.72 -45.85 7.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 tt -72.4 -23.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.6 -38.85 47.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.552 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -102.8 30.7 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 575' ' ' MET . 2.0 tmt? -83.05 124.42 30.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 111.61 -40.45 2.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.31 167.3 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -144.43 -57.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.93 -39.07 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.279 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.73 -39.67 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.6 -55.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.456 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 28.7 m-20 -45.09 -37.57 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -65.68 -44.37 86.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.456 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.2 -57.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.75 -38.57 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -56.96 -32.0 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.396 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.9 m -81.21 -55.0 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 80.8 mt -52.07 -31.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -72.99 -46.1 54.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.53 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 14.2 mm -70.05 165.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -41.33 130.28 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 6.1 p80 -137.37 75.74 44.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.769 2.313 . . . . 0.0 111.94 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -96.48 -32.86 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 71.1 p -50.02 -24.36 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 11.5 t -48.94 -45.53 41.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -45.07 -33.61 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.5 -44.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 602' ' ' LEU . 0.3 OUTLIER -50.51 -63.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.02 -48.43 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.36 -42.92 13.86 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 607' ' ' ALA . 20.4 t -72.18 -33.11 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.683 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.73 15.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 605' ' ' SER . . . -79.14 178.3 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.53 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 609' ' ' THR . 31.2 p90 -81.96 -48.59 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.571 ' N ' ' CG ' ' A' ' 608' ' ' TYR . 4.5 t -55.21 138.2 45.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -85.58 -133.12 2.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 18.6 m -86.96 -48.51 8.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.542 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 117.946 -1.474 . . . . 0.0 110.908 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 17.0 m 56.44 97.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -55.24 160.17 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 1.3 pt -62.72 -9.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.344 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.7 t -54.07 -34.51 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 11.8 t -50.58 -67.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.21 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.08 74.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 494' ' ' GLY . 5.1 mm -64.75 -36.81 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.98 -60.45 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.78 -48.7 36.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.0 mp -72.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -70.13 -39.22 72.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 59.6 mt -88.92 -38.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 110.758 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.55 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -67.27 -32.12 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 1.3 m-85 -50.1 -7.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.55 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -48.99 -36.88 18.66 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' ' 501' ' ' LYS . . . -87.8 -8.06 73.68 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 502' ' ' ASN . 24.8 t -46.22 -13.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 499' ' ' GLY . 0.0 OUTLIER -75.21 33.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.071 0.463 . . . . 0.0 110.186 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 500' ' ' SER . 4.4 m120 -109.31 164.01 12.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.171 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -78.19 -12.77 60.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.613 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.94 -58.22 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.41 -35.81 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.261 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.53 -52.37 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.453 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -67.36 -20.51 71.56 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.3 tp -87.38 -58.06 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.006 0.432 . . . . 0.0 111.232 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 513' ' ' ALA . 1.5 tp -58.26 -28.13 64.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mp -59.56 -65.77 1.86 Allowed Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.946 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -48.26 -29.47 13.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.922 1.748 . . . . 0.0 111.154 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 57.6 mt -86.74 -26.54 6.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.475 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.38 -10.55 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' A' ' 549' ' ' ASN . . . -81.53 3.81 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.3 t 38.96 78.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 37.4 p -80.61 -38.45 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -161.67 37.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 150.27 66.25 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.178 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.28 143.31 8.02 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.502 2.135 . . . . 0.0 111.929 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 90.4 mt -73.49 -23.96 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.306 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.5 -44.92 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 60.9 p -72.82 -55.61 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -54.2 -21.23 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -68.88 -63.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.9 mtt -54.97 -37.18 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.77 94.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 41.5 m -52.76 -57.87 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.18 -46.14 62.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.48 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -30.05 70.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.08 -43.52 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 17.4 t-80 -56.8 -33.5 66.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.67 -49.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.524 ' C ' ' H ' ' A' ' 536' ' ' GLY . 18.0 m-85 -77.94 0.47 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -49.98 -10.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -94.37 -41.74 4.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 534' ' ' PHE . 13.0 t -133.21 154.37 50.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 67.2 m -103.63 164.14 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 110.657 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 10.3 t-20 -155.27 140.27 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.48 65.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.498 ' HB2' ' OD1' ' A' ' 539' ' ' ASN . 7.3 m-20 -45.99 -57.98 3.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.341 . . . . 0.0 110.754 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.64 -27.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 3.9 m -81.24 -35.04 31.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -55.19 -34.81 64.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.7 m -83.39 -59.9 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.71 -45.02 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.27 -44.52 83.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.616 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -48.41 -41.15 28.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.296 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 513' ' ' ALA . 54.0 m-20 -66.63 -52.62 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.389 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.19 -31.33 0.37 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.9 mp -87.02 -41.24 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.56 -55.34 18.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 47.95 91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.51 ' O ' ' N ' ' A' ' 556' ' ' ILE . 10.1 m -59.31 162.88 4.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -45.27 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.708 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.36 -5.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.537 ' H ' ' C ' ' A' ' 555' ' ' ALA . 7.9 pt-20 -57.32 -16.76 9.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.228 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -71.1 1.68 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -113.75 167.29 10.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.224 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.4 m -154.38 89.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -173.54 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.485 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -62.37 -26.95 68.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.4 p -48.94 -21.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -69.94 -44.5 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.33 -59.33 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.6 -45.69 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.24 -57.77 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.135 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -48.26 -45.14 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.31 -17.11 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.22 -57.53 2.35 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.495 ' CD1' ' N ' ' A' ' 572' ' ' ILE . 1.8 mp -64.02 -37.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 50.5 tp -44.15 -54.38 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 576' ' ' GLY . 7.5 m-85 -88.21 -18.96 27.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 11.4 ttt 60.38 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 164.58 68.43 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -74.31 -94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -165.01 -126.0 0.8 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -45.86 -21.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.02 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 92.3 t -58.24 -53.54 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.34 -42.15 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.07 -45.95 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.549 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 49.0 t -56.99 -61.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 585' ' ' LEU . 10.8 mp -46.13 -48.77 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' A' ' 586' ' ' GLU . 1.6 tm-20 -46.61 -39.04 10.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.373 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 11.1 m -68.32 -44.26 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.3 mt -66.09 -30.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.8 p -79.42 -14.7 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -79.18 -57.69 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.2 pt -73.59 -170.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.665 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -69.76 130.16 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 8.4 p80 -137.16 76.41 44.77 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -74.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.746 2.298 . . . . 0.0 111.914 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 10.5 ptp -91.52 -18.63 23.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.502 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 85.2 m -54.91 -24.67 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.1 m -45.4 -26.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.89 73.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.405 ' H ' HD11 ' A' ' 599' ' ' ILE . 4.6 mp -73.24 -29.81 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.73 -36.57 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.59 -64.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.68 -52.77 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.86 -56.76 7.32 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m -60.81 -22.57 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.0 t -99.64 80.93 2.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -163.21 -111.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.501 ' C ' ' HG1' ' A' ' 609' ' ' THR . 0.2 OUTLIER -57.88 101.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.371 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.501 ' HG1' ' C ' ' A' ' 608' ' ' TYR . 7.7 m -153.38 130.13 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -158.48 -173.1 26.45 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.65 -44.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.8 0 CA-C-O 117.976 -1.458 . . . . 0.0 110.92 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.11 111.17 4.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -134.85 53.07 2.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.3 mm -62.66 -25.42 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.3 p -57.07 -33.56 67.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 54.0 m -61.1 -50.24 74.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.54 71.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.04 -47.61 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.6 mm -61.46 -33.82 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.2 tp -68.47 -67.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.62 -36.39 8.07 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.456 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 4.6 tp -86.65 -14.95 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -78.78 -7.55 88.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.22 -23.78 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.811 0.338 . . . . 0.0 110.387 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -79.94 -57.85 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -57.7 6.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.659 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.99 -15.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.658 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.665 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -52.22 -1.98 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.655 ' H ' ' C ' ' A' ' 498' ' ' ALA . 0.9 OUTLIER -37.32 -16.72 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.477 0.179 . . . . 0.0 111.391 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -75.91 26.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.588 ' C ' ' H ' ' A' ' 504' ' ' GLU . 52.5 m-20 -143.28 121.02 11.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.082 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -51.11 -5.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' A' ' 502' ' ' ASN . 28.4 tt0 -81.7 -44.98 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 110.574 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.24 -62.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.15 -22.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.6 96.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.82 -40.14 15.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.3 -24.52 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 514' ' ' ALA . 1.7 mp -68.65 -66.33 1.06 Allowed Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.642 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -45.5 -30.06 5.54 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.139 1.892 . . . . 0.0 111.259 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.53 -40.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -84.76 -11.01 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.772 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -82.11 13.18 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 54.4 p 40.96 63.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.656 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.9 p -77.34 -31.02 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -170.61 44.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.65 151.56 28.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.33 145.6 2.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.447 2.098 . . . . 0.0 111.736 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 523' ' ' ALA . 19.7 mt -73.5 -30.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.48 ' O ' ' SD ' ' A' ' 525' ' ' MET . 41.7 mt-10 -41.31 -32.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 67.5 p -85.29 -34.7 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -67.63 -40.1 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.23 83.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.3 mpt? -71.11 -46.08 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.64 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.644 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.6 m -76.39 -44.62 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.64 -51.2 69.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.75 80.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -22.39 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -83.5 -39.04 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -79.64 -16.15 56.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.997 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -88.55 -34.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.445 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.55 -0.26 46.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -49.97 -18.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.499 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.81 -62.73 2.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.8 p -96.14 177.02 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 40.8 t -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 8.1 t-20 -172.16 124.96 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.73 -34.07 35.93 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 30.1 t0 -43.76 -37.93 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.617 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.97 -40.71 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.5 m -67.5 -32.17 72.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.6 m -62.24 -38.89 90.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.44 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.369 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -41.38 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 14.8 ttm -70.4 -35.12 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.82 -58.46 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.285 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -56.56 -41.0 76.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.316 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -56.25 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 12.7 mt -48.03 -30.16 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 553' ' ' ARG . 41.7 mt-10 -83.25 -56.23 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.676 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 552' ' ' GLU . 54.1 ttp180 30.28 75.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.26 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 556' ' ' ILE . 7.8 p -69.41 158.33 35.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -42.27 -18.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.107 0.48 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.57 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -52.35 -10.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.957 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 559' ' ' LYS . 1.0 OUTLIER -73.0 -16.63 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -43.05 -16.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.944 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 557' ' ' GLU . 8.3 ttpp -75.06 137.29 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 562' ' ' TRP . 52.8 p -82.72 174.98 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 8.8 t70 61.95 2.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.832 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.456 ' H ' ' C ' ' A' ' 560' ' ' THR . 74.2 t90 -81.17 -49.87 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.81 -28.44 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -62.95 -55.88 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -60.57 -45.39 94.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.84 -32.83 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.29 -53.45 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.0 mp -54.56 -44.58 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.56 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.99 -14.21 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.9 -48.49 5.45 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.45 -26.81 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.486 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 tp -67.88 -48.16 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -92.96 23.54 4.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.277 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 5.2 ttt -50.16 125.05 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.475 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 53.11 82.41 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.18 -168.24 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 580' ' ' GLN . . . -146.49 -133.99 2.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -47.37 -18.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 578' ' ' GLY . 3.8 tp-100 -57.2 -34.66 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.79 -47.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -50.15 -39.96 45.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.23 -50.1 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.32 -41.14 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.687 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.58 -54.9 36.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -44.37 -55.26 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 45.9 m -52.68 -50.41 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.16 -29.13 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.6 m -82.31 -21.45 36.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.9 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 21.8 pt -64.49 143.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.534 ' C ' ' HD1' ' A' ' 593' ' ' HIS . 27.5 tt0 -65.28 88.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.534 ' HD1' ' C ' ' A' ' 592' ' ' GLU . 13.5 m80 -137.22 82.83 28.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -72.48 -19.95 24.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.593 2.196 . . . . 0.0 111.848 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.99 -59.5 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 598' ' ' ALA . 51.1 m -47.47 -23.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 14.3 m -43.95 -21.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.616 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -64.96 -38.98 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 57.5 mt -80.12 -26.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -53.56 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.88 -30.81 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.14 -70.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.67 -14.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.58 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.37 -76.41 0.97 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 46.5 m -49.41 -32.02 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.66 48.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.75 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.77 154.53 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.463 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.2 p -119.63 -10.96 9.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 84.28 -170.62 47.1 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 10.0 t -79.85 -172.22 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.64 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.785 0 CA-C-O 117.922 -1.488 . . . . 0.0 110.943 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 8.1 t -82.52 129.69 34.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -160.79 8.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.457 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.2 -22.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 46.4 t -49.49 -47.68 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.5 t -61.57 -64.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.52 -21.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -71.96 -50.64 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.633 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 490' ' ' ILE . 13.8 mm -57.64 -41.68 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 491' ' ' LEU . 10.9 mp -62.18 -67.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.432 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.12 -71.58 0.36 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 1.2 mp -44.63 -41.76 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.75 -65.77 2.66 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.1 pt -65.34 -10.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 111.392 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -69.5 -48.3 61.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.622 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.7 OUTLIER -49.98 -40.76 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.159 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.05 -4.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.223 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.97 -53.74 7.27 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.046 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 90.5 p -136.03 -67.03 0.53 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.915 0.857 . . . . 0.0 112.387 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.67 -29.23 4.74 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.435 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 0.1 OUTLIER 72.95 3.66 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.559 -179.634 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.23 -32.51 49.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -65.7 -47.12 76.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.295 0.569 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.06 -48.55 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.888 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 7.2 tp -54.88 -26.69 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.262 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.35 -44.1 75.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 508' ' ' LEU . 7.9 mp -87.1 -49.53 7.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.899 0.38 . . . . 0.0 111.313 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.49 -27.03 23.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.233 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 8.1 mt -64.66 -66.83 1.25 Allowed Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.37 -31.53 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.171 1.914 . . . . 0.0 111.377 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 58.4 mt -85.83 -30.16 6.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.517 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.97 -10.79 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.0 12.92 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 73.9 m 41.25 73.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.0 p -86.71 -33.81 19.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -158.59 18.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.819 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.84 154.16 80.03 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.176 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.82 149.16 1.22 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.566 2.177 . . . . 0.0 111.897 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 pt -73.53 -18.62 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.89 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 12.3 p -51.04 -43.66 60.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.96 66.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.43 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 59.3 mtt -52.13 -39.13 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.477 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.38 -53.19 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 m -53.52 -38.2 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.34 -46.19 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.1 73.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 533' ' ' VAL . 77.2 mt -57.84 -54.44 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.82 -35.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.61 59.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.486 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 530' ' ' LEU . 94.7 t -84.96 -34.91 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 536' ' ' GLY . 28.7 m-85 -90.31 0.08 57.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 14.5 p -49.97 -12.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.289 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -111.36 -47.01 0.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 7.9 p -85.2 177.28 7.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.458 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 82.9 m -123.29 167.99 13.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 3.2 m-20 168.81 120.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.194 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -77.26 -31.0 53.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -49.07 -31.83 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.319 . . . . 0.0 110.578 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 542' ' ' ILE . 92.1 mt -58.19 -44.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.5 m -71.48 -35.32 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.7 m -50.73 -59.04 4.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 60.1 p -62.44 -54.66 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.45 -41.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.052 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.5 tpt -58.66 -55.19 38.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -36.4 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -53.08 60.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.58 -47.39 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -71.15 -38.93 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.4 tp10 -72.91 -10.28 59.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -44.61 92.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.561 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.8 m -76.95 163.36 26.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.78 -8.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.18 -3.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.595 ' H ' ' C ' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -56.84 -23.37 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.262 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.06 1.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.641 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 557' ' ' GLU . 36.8 mmtt -73.89 -94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.428 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 60.5 p -116.3 -172.76 2.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -105.86 31.39 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -20.36 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.4 p -44.53 -37.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -58.3 -55.35 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.9 -34.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.43 -38.9 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -74.23 -37.43 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -31.79 73.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.27 -18.35 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.05 -58.66 2.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.5 tt -65.03 -25.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.793 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 tp -46.33 -52.46 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 576' ' ' GLY . 14.1 m-85 -87.08 13.31 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.78 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.434 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -156.64 81.49 0.16 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -146.55 122.95 11.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 582' ' ' ASP . . . -80.25 -36.1 25.05 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.34 -52.01 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.58 -48.18 67.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.12 -22.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 578' ' ' GLY . 31.1 t0 -72.48 -45.01 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.81 -43.29 79.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.93 -50.57 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 66.1 mt -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.482 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -44.74 -43.72 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.3 m -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.354 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.18 -37.61 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 23.2 t -51.56 -38.22 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.24 63.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.86 112.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 600' ' ' GLU . 12.7 pt-20 -155.76 140.92 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 157.4 58.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.87 -38.34 9.81 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.645 2.23 . . . . 0.0 111.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 595' ' ' MET . 1.2 mpt? -81.97 -40.89 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.2 m -44.53 -30.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.8 t -49.12 -40.93 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.79 77.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 43.6 mt -68.9 -44.14 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.432 ' OE1' ' OE2' ' A' ' 592' ' ' GLU . 51.2 mt-10 -53.15 -40.03 63.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.0 -25.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.2 -69.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.35 -28.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.62 -60.58 8.25 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.4 p -51.26 -35.83 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.1 t -79.27 62.85 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -160.35 165.94 30.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 47.54 43.64 16.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.115 0.483 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 4.5 m -117.21 -11.52 10.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -78.45 74.06 2.14 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 19.5 m -151.3 85.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.761 0 CA-C-O 117.963 -1.465 . . . . 0.0 110.946 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.1 t -128.86 -38.97 1.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' A' ' 486' ' ' SER . 0.0 OUTLIER 41.67 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.615 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 23.3 pt -56.78 -4.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.535 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 484' ' ' LYS . 38.6 m -58.45 -37.93 76.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.659 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -35.16 79.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.75 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.2 50.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.8 mm -66.69 -21.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.73 -71.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.82 -48.01 24.42 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -74.61 -21.44 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.095 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.71 -48.31 61.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.6 tt -83.86 -30.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -67.68 -22.93 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.3 OUTLIER -43.4 -32.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.565 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -55.46 -7.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.637 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.19 -3.47 82.27 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 502' ' ' ASN . 4.9 m -44.18 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.712 0.291 . . . . 0.0 110.79 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 499' ' ' GLY . 17.1 mmtp -77.1 32.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.318 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 500' ' ' SER . 0.1 OUTLIER -147.85 155.0 41.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.232 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 -74.31 -4.94 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -78.85 -57.67 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.029 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.4 -62.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.939 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.28 -29.1 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.08 89.91 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.81 -27.44 25.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.68 0.276 . . . . 0.0 111.168 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -44.64 95.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.01 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mm? -50.33 -66.26 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.892 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.83 -57.36 2.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.191 1.927 . . . . 0.0 111.779 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -28.53 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.708 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -81.02 -17.27 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.16 12.38 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.8 m 44.12 56.46 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 21.6 p -51.96 -45.99 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -173.27 26.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.42 152.38 45.22 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.333 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.72 147.26 3.17 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.499 2.132 . . . . 0.0 111.85 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 524' ' ' ALA . 73.2 mt -63.4 -41.78 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -45.6 -52.12 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 6.7 m -61.58 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.26 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -80.66 -36.72 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.8 tpt -72.67 -47.88 43.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.68 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.458 ' HG ' ' H ' ' A' ' 528' ' ' LEU . 31.3 p -56.71 -45.67 81.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 527' ' ' SER . 1.1 tt -52.41 -48.26 65.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.95 92.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.67 -48.45 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.49 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -69.64 -43.55 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.03 -39.23 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.477 ' C ' ' H ' ' A' ' 536' ' ' GLY . 2.4 m-85 -85.64 0.67 51.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.552 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.7 p -49.84 -12.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.315 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -98.27 -45.53 2.35 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.2 t -97.84 177.2 5.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 537' ' ' THR . 12.3 t -141.93 135.64 29.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -143.91 143.18 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.35 78.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.5 -57.57 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.4 mt -48.4 -40.58 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.1 m -59.27 -46.82 87.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 7.2 m -56.09 -29.43 60.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -55.57 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 tp -55.67 -32.49 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.606 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -72.43 -49.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.277 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -47.12 -41.59 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.87 -38.25 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.04 -62.87 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 553' ' ' ARG . 5.5 mm-40 -53.73 -56.27 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.734 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.469 HH22 ' CD1' ' A' ' 599' ' ' ILE . 6.8 mtt180 33.59 88.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.526 ' C ' ' H ' ' A' ' 556' ' ' ILE . 3.6 m -65.16 161.75 18.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.502 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.69 -10.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.526 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.41 -11.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.381 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 559' ' ' LYS . 11.2 pt-20 -58.03 -16.85 14.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.2 pp -39.56 -28.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 557' ' ' GLU . 26.4 ttmt -88.67 133.8 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.8 t -116.77 34.49 5.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.32 -38.59 3.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 6.7 p-90 -70.72 -24.94 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.62 -31.06 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.13 -44.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.424 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.62 -49.49 53.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.8 tp -59.29 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -51.35 -33.67 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.93 -49.58 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.18 52.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.66 -19.91 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.91 -58.67 2.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 573' ' ' LEU . 18.4 tt -58.45 -47.66 87.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . 0.449 ' N ' ' CG2' ' A' ' 572' ' ' ILE . 25.9 tp -48.28 -60.6 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 3.7 m-85 -83.3 9.49 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.245 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 28.0 mtt 54.75 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 149.92 38.01 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.23 120.93 3.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 135.41 139.64 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.84 -16.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.95 -37.26 68.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.443 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.34 -37.11 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.62 -42.88 84.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -62.87 -50.9 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.1 -45.37 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.94 -24.8 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.312 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.65 -41.88 62.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 62.2 m -64.86 -50.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.425 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.8 mt -54.24 -49.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 28.6 t -49.55 -49.38 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.21 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.87 83.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.459 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 592' ' ' GLU . 1.1 pp20? -130.1 143.77 50.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 595' ' ' MET . 5.6 m-70 -110.17 156.8 39.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.168 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.79 -18.87 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.612 2.208 . . . . 0.0 111.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 595' ' ' MET . 0.0 OUTLIER -92.85 -50.81 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 13.5 m -58.18 -28.9 65.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.412 ' OG ' ' OE1' ' A' ' 592' ' ' GLU . 3.3 m -48.19 -28.79 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.89 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.469 ' CD1' HH22 ' A' ' 553' ' ' ARG . 87.8 mt -68.3 -36.71 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 604' ' ' GLY . 50.7 tt0 -59.02 -45.99 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.5 -59.33 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -51.78 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.24 -30.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -86.83 19.19 30.88 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m -135.03 -57.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.0 49.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -157.48 -129.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.58 86.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 610' ' ' GLY . 0.1 OUTLIER -91.33 -105.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.458 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.515 ' N ' ' OG1' ' A' ' 609' ' ' THR . . . -92.28 -140.36 9.48 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 17.1 p -150.63 103.53 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.961 -1.466 . . . . 0.0 110.88 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 13.6 p -145.05 26.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -145.09 -81.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.1 mt -48.01 -26.75 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.67 -52.21 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 25.1 m -45.73 -42.93 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.3 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.59 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 494' ' ' GLY . 23.7 mm -70.38 -26.55 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tt -65.0 -76.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.127 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.12 -50.17 22.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.8 tp -71.06 -12.03 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.049 0.452 . . . . 0.0 110.021 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -65.02 -48.43 71.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 19.6 tt -87.88 -12.84 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.79 -23.98 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 499' ' ' GLY . 16.6 m-85 -55.26 -5.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.49 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.12 -19.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.609 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -66.16 -2.53 14.11 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 502' ' ' ASN . 0.4 OUTLIER -38.87 -18.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.629 0.252 . . . . 0.0 111.18 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 499' ' ' GLY . 1.3 mptm? -76.56 25.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.0 0.429 . . . . 0.0 109.933 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.521 ' H ' ' C ' ' A' ' 500' ' ' SER . 28.0 p30 -139.7 155.94 47.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.26 -3.9 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.41 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -81.34 -42.02 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.797 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 15.4 t -71.48 -62.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . 0.513 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -76.35 -19.54 78.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.98 -56.85 3.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.67 -35.55 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mm? -58.2 -65.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.047 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.513 ' CD ' ' O ' ' A' ' 507' ' ' GLY . 2.8 Cg_endo -46.93 -59.84 1.1 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.347 2.031 . . . . 0.0 112.26 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 10.9 pt -58.93 -27.7 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.883 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.06 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.83 34.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 517' ' ' ASP . 12.3 t -137.48 77.81 1.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 518' ' ' LEU . 44.8 p -53.1 -10.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 515' ' ' SER . 22.2 m-20 -40.96 -21.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -124.53 155.21 69.46 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.199 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.57 143.51 3.92 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.565 2.177 . . . . 0.0 111.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.5 pt -73.42 -15.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.446 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -53.03 -40.75 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.6 m -82.68 -46.92 12.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.03 79.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -58.95 -58.33 9.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.1 tpt -52.54 -48.84 65.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.236 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.93 71.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.663 ' HG ' ' N ' ' A' ' 528' ' ' LEU . 83.4 p -54.12 -46.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.663 ' N ' ' HG ' ' A' ' 527' ' ' SER . 1.4 tt -45.01 -54.5 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.257 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -52.93 -48.68 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.32 -48.49 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.27 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -46.02 -28.79 1.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 535' ' ' VAL . 93.8 t -81.87 -69.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.626 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 2.1 m-85 -61.94 0.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.671 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.0 p -49.74 -27.13 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.429 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.09 -42.96 8.4 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 61.7 p -93.86 177.4 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.48 125.96 17.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -147.38 149.98 33.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.53 -33.96 37.13 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.67 -44.09 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.761 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.57 -56.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.659 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 29.6 m -53.25 -32.61 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 19.8 m -60.34 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -52.85 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.8 -51.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -63.36 -42.4 98.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.59 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.043 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.06 -36.65 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -48.81 -40.34 28.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.637 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.02 -59.1 2.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.488 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' ARG . 61.2 tt0 -45.26 -55.77 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 552' ' ' GLU . 51.7 ttp180 36.1 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 556' ' ' ILE . 26.3 p -67.97 145.82 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.459 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.59 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -41.95 -21.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 0.0 109.789 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.2 OUTLIER -55.59 -3.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.902 179.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.59 ' H ' ' C ' ' A' ' 555' ' ' ALA . 1.3 pt-20 -69.56 -16.92 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.317 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 1.2 pt? -48.55 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.985 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.563 ' H ' ' C ' ' A' ' 557' ' ' GLU . 8.1 tttp -93.71 120.16 33.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 561' ' ' ASP . 5.7 t -82.45 -169.36 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 560' ' ' THR . 6.1 t0 84.62 -64.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 559' ' ' LYS . 2.8 p-90 -49.45 -33.01 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.792 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.17 -22.21 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -69.88 -55.79 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.71 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.6 -30.3 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.02 -55.28 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.716 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.33 -38.06 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.88 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 2.4 tp -62.05 -20.89 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -83.98 -52.57 3.6 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 4.9 mm -71.4 -21.95 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.475 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.0 tp -50.45 -59.04 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.443 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 13.0 m-85 -73.22 -3.62 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 52.82 80.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 77.86 -141.62 25.57 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.694 ' NE2' ' H ' ' A' ' 577' ' ' GLN . 0.0 OUTLIER -73.68 -173.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.563 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 149.65 121.31 1.08 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -41.41 -25.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 578' ' ' GLY . 82.6 mm-40 -55.91 -54.95 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.61 -56.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.69 -39.72 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.63 -44.75 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.83 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.42 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.1 mt -49.76 -41.5 44.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.12 -27.73 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.7 m -77.2 -52.12 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.21 -33.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 40.2 t -74.26 -34.69 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.66 -61.84 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 26.3 pt -72.13 174.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 5.3 mp0 -63.62 131.21 47.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.51 ' ND1' ' OG ' ' A' ' 597' ' ' SER . 3.0 p80 -137.2 75.6 46.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -66.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.774 2.316 . . . . 0.0 111.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 27.7 mtt -94.46 -9.65 34.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.9 m -77.75 -34.29 52.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.51 ' OG ' ' ND1' ' A' ' 593' ' ' HIS . 70.0 m -43.91 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -63.59 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.29 -30.27 45.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -58.62 -61.63 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.44 -23.96 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.9 -55.01 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.33 -49.22 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -47.16 -35.85 9.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.6 t -77.5 -34.04 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 606' ' ' CYS . 43.7 t -79.04 13.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.467 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -156.0 -153.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.83 123.94 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 24.3 m -139.22 152.45 47.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 93.39 -114.87 4.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 77.7 p -137.32 105.81 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.531 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.807 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.915 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.5 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.759 0.314 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.467 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -49.52 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.49 -40.51 31.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.6 -31.17 71.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 109.969 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.33 80.39 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.45 -38.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 0.0 110.422 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.572 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.22 -23.41 54.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -53.87 -1.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.71 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.572 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -56.23 -35.64 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.555 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -83.27 -3.53 90.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.705 ' HB2' HG11 ' A' ' 533' ' ' VAL . 68.5 m -45.1 -12.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 499' ' ' GLY . 56.9 mttp -74.89 33.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.399 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 504' ' ' GLU . 3.0 m120 -120.0 128.62 53.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.151 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -46.41 -12.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 502' ' ' ASN . 31.4 tt0 -76.87 -55.44 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.235 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.63 -37.57 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 510' ' ' LEU . 6.8 tp -63.92 -30.06 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.66 -27.66 56.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.91 -44.54 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 513' ' ' ALA . 3.6 mm? -61.78 -49.74 75.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -45.34 -66.05 0.55 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.98 -41.32 26.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.136 1.89 . . . . 0.0 111.699 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.35 -21.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -85.35 -18.7 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.11 56.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 26.8 t 44.16 81.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.7 p -73.97 -12.45 60.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.08 -57.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.2 OUTLIER -45.66 149.89 1.02 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.73 139.97 13.21 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.3 2.0 . . . . 0.0 111.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 520' ' ' ILE . 16.8 pt -73.33 -14.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.276 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.68 -55.13 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 22.5 p -61.87 -40.17 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.34 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.04 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.1 mmt -62.78 -49.63 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.44 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 25.8 m -56.76 -32.32 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.9 tt -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.86 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -48.28 -46.9 36.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.296 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.14 -52.31 64.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -42.18 -26.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 500' ' ' SER . 60.0 t -88.82 -59.47 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 536' ' ' GLY . 16.9 m-85 -70.49 0.43 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.6 p -49.96 -13.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -107.25 -35.33 2.72 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 534' ' ' PHE . 33.4 p -99.97 177.24 5.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.0 p -138.81 150.07 45.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 56.1 t-20 -160.78 138.42 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -79.0 -17.28 77.35 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -62.59 -57.79 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -45.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.0 m -56.76 -39.56 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.326 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.3 m -51.78 -55.59 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.1 m -63.49 -43.61 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.85 -26.0 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.488 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 9.3 tpt -76.91 -50.69 12.72 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -51.98 -36.54 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -71.15 -36.38 72.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.511 ' O ' ' NE ' ' A' ' 553' ' ' ARG . 0.2 OUTLIER -54.54 -35.79 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.2 mt -88.95 -28.98 19.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -75.46 -7.37 53.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 550' ' ' PHE . 85.4 mtm180 -40.59 105.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.751 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 556' ' ' ILE . 21.3 p -79.7 166.31 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -40.41 -22.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.307 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -53.89 -7.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.827 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.593 ' C ' ' H ' ' A' ' 559' ' ' LYS . 2.6 pt-20 -65.37 -16.41 63.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.324 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -53.46 -0.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.994 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' A' ' 557' ' ' GLU . 40.2 mmtt -80.89 -168.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.767 0.317 . . . . 0.0 110.254 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 33.0 m -165.23 75.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -173.42 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.545 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -64.55 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.545 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.2 p -65.29 -42.02 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.737 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 563' ' ' VAL . 10.0 ttp180 -60.56 -35.44 76.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.95 -39.6 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.43 -42.8 99.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.81 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.462 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.79 -41.01 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.36 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.87 -27.32 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.67 -29.73 28.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.0 mt -71.41 -33.22 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.86 -27.72 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 28.1 m-85 -118.8 35.05 4.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.641 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.7 ttt -50.88 -32.75 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -90.81 25.91 12.38 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.17 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 166.2 137.09 2.14 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.48 -25.48 6.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -56.04 -44.59 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.96 -41.7 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 582' ' ' ASP . 51.6 t0 -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.428 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.75 -45.35 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.21 -61.08 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.4 mp -50.01 -43.66 50.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.64 -31.89 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -71.39 -40.22 70.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 43.2 mt -60.79 -43.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 33.0 t -63.94 -30.34 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.15 96.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 62.9 mt -98.78 123.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' A' ' 593' ' ' HIS . 3.2 tm-20 -62.61 129.4 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.563 ' O ' ' O ' ' A' ' 594' ' ' PRO . 0.1 OUTLIER -136.95 158.27 73.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.366 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.568 ' C ' ' H ' ' A' ' 596' ' ' THR . 2.5 Cg_endo -47.68 -160.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.943 2.428 . . . . 0.0 112.298 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 597' ' ' SER . 10.7 ptt? -55.83 -0.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.568 ' H ' ' C ' ' A' ' 594' ' ' PRO . 8.3 m -42.52 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 595' ' ' MET . 20.2 m -46.89 -30.45 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.46 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -65.21 -40.98 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.14 -40.92 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.77 -33.81 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -62.97 -67.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.85 -24.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.3 -29.87 71.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 83.6 p -77.84 -39.39 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.682 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.14 85.65 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 494' ' ' GLY . 13.5 mm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.0 tp -49.88 -61.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.22 -67.86 1.96 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -22.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.053 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -61.63 -79.22 0.14 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 23.2 pt -62.24 3.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -79.83 -63.55 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.725 ' CZ ' HG22 ' A' ' 533' ' ' VAL . 25.3 p90 -48.69 -49.24 38.63 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.871 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.71 ' N ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.83 -6.05 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.629 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -47.2 -54.8 9.47 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.538 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.9 t -136.87 -65.34 0.55 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.657 0.729 . . . . 0.0 112.54 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.7 OUTLIER -118.65 -28.01 5.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.333 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 0.4 OUTLIER 85.81 0.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 36.3 p-10 -78.51 -20.04 51.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.99 -56.2 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 110.169 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.34 -27.71 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 510' ' ' LEU . 4.4 tt -64.86 -35.29 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.379 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.471 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -74.63 -25.63 69.5 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 mp -87.09 -44.23 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.5 OUTLIER -62.8 -45.03 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.499 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.0 mm? -48.16 -65.91 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.39 -44.9 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.229 1.953 . . . . 0.0 111.784 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.08 -18.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.01 -36.09 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.648 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.93 2.14 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 517' ' ' ASP . 32.2 m -93.8 61.37 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -12.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 515' ' ' SER . 8.6 t70 -42.6 -31.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.62 151.11 38.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.42 147.05 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.422 2.081 . . . . 0.0 111.746 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.619 HD11 ' CG2' ' A' ' 556' ' ' ILE . 34.8 pt -71.37 -24.7 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -51.26 -32.03 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -51.11 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.89 -26.22 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -59.22 -59.24 5.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.2 mmt -57.23 -56.86 16.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.9 t -64.34 -36.45 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.5 tt -54.17 -55.78 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 532' ' ' HIS . . . -57.19 -49.41 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -41.95 -39.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.361 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.28 73.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.6 OUTLIER -73.5 -15.01 61.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.293 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.725 HG22 ' CZ ' ' A' ' 497' ' ' PHE . 63.2 t -85.3 -57.3 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 1.5 m-85 -77.13 1.05 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.617 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 535' ' ' VAL . 7.8 p -49.28 -12.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.396 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -91.44 -51.88 2.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 55.9 p -99.37 177.11 5.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -165.76 117.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.67 -19.74 79.74 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -55.52 -42.58 74.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.75 -51.78 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.722 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 5.3 m -54.77 -22.83 15.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 2.8 m -71.29 -51.51 24.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.433 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.405 ' HB3' HD13 ' A' ' 510' ' ' LEU . 5.8 p -65.57 -43.99 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.185 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 547' ' ' MET . 1.7 mt -57.06 -55.01 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.147 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.43 ' N ' HG22 ' A' ' 546' ' ' ILE . 2.6 tpt -58.43 -41.87 86.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.574 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -55.88 -51.28 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.421 HD21 HG22 ' A' ' 520' ' ' ILE . 4.0 t-20 -56.89 -36.63 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.414 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -60.55 -57.71 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 551' ' ' LEU . 3.0 mm? -49.3 -24.27 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 553' ' ' ARG . 6.4 tp10 -81.61 -55.57 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.811 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.7 mtm180 43.91 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 556' ' ' ILE . 20.6 p -73.56 160.74 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.79 -14.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.633 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.619 ' CG2' HD11 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -52.93 -10.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' A' ' 559' ' ' LYS . 47.3 mm-40 -59.46 -17.03 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.399 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 558' ' ' LEU . 0.8 OUTLIER -60.69 2.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.745 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 557' ' ' GLU . 63.4 mttt -124.46 142.18 51.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.91 98.23 5.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 562' ' ' TRP . 17.6 p30 -173.98 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.477 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 6.7 p-90 -67.59 -34.38 76.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 563' ' ' VAL . 7.2 t -46.35 -31.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -56.02 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.53 -37.53 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' A' ' 550' ' ' PHE . 29.5 tp -59.27 -44.5 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.08 -55.43 29.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 8.8 mp -49.39 -44.09 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.43 46.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.45 -16.54 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.77 -44.06 7.99 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.0 mt -81.99 -30.46 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.0 tp -47.13 -36.73 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 576' ' ' GLY . 9.7 m-85 -105.28 29.72 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 574' ' ' TYR . 9.1 ptp 32.04 34.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 86.33 -73.63 2.49 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -101.72 155.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.52 127.11 1.16 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 3.1 mp0 -46.79 -20.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.491 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -55.85 -45.02 78.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.38 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.65 -49.04 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 -38.87 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.64 -44.15 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.613 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.29 -61.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 69.7 mt -46.83 -45.73 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -48.62 77.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.2 mt -57.75 -42.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.305 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.7 p -68.04 -32.79 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -53.37 -58.28 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 592' ' ' GLU . 89.6 mt -84.43 153.84 3.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 591' ' ' ILE . 23.8 mt-10 -75.45 112.29 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.714 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -137.32 87.19 18.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.311 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.51 -8.77 24.37 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.377 2.051 . . . . 0.0 111.889 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 6.1 ttt -97.49 -63.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.329 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 598' ' ' ALA . 4.2 m -51.8 -24.02 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 34.5 t -44.04 -22.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -68.06 -53.85 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.87 -25.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.43 -52.75 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.9 -33.6 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -68.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.4 t -56.01 -21.07 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -78.22 -56.44 3.71 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.6 m -51.32 -35.91 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.43 91.8 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.623 ' N ' HD12 ' A' ' 490' ' ' ILE . 1.8 mp . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.759 0.314 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.87 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -40.88 -81.14 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.3 tp -45.36 -17.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.203 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.46 -89.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 498' ' ' ALA . 14.4 tt -48.52 -8.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -73.93 -37.65 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.453 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -50.98 -10.84 0.08 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.862 173.211 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 495' ' ' ILE . . . -84.12 -4.21 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.17 -54.98 6.81 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.759 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -137.15 -67.55 0.49 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.227 1.013 . . . . 0.0 112.726 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 10.9 tmtt? -120.83 -28.24 4.88 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.628 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.672 ' ND2' ' CZ ' ' A' ' 534' ' ' PHE . 0.0 OUTLIER 94.14 2.46 0.06 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.578 0.549 . . . . 0.0 110.654 -179.291 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -78.36 -23.52 46.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.753 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.91 -49.84 66.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 110.114 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.7 t -64.78 -24.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.904 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.19 -53.81 10.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.176 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -54.25 -23.81 27.05 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.12 -51.75 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.998 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 530' ' ' LEU . 6.0 mt -58.98 -46.12 88.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.2 mm? -47.48 -66.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.9 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 507' ' ' GLY . 2.9 Cg_endo -46.93 -37.86 22.68 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.065 1.843 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.1 mt -80.22 -23.15 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.447 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.71 -16.46 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.89 -0.72 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 517' ' ' ASP . 39.9 t -115.54 62.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.403 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 t -49.59 -10.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 515' ' ' SER . 48.3 t0 -39.1 -39.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.58 154.97 65.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.051 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.69 127.86 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.469 2.113 . . . . 0.0 111.804 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.466 HD11 ' H ' ' A' ' 554' ' ' THR . 46.0 mt -59.24 -28.05 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -45.97 -43.04 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 26.1 m -66.85 -37.4 84.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.311 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.25 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.641 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 58.3 mtp -56.2 -38.87 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.72 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 67.6 m -65.19 -54.42 29.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -48.63 -41.29 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.45 80.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.493 ' CD1' HD13 ' A' ' 509' ' ' LEU . 2.9 mt -69.23 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -50.28 -31.46 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.431 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.4 OUTLIER -65.47 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.43 -17.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.847 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.672 ' CZ ' ' ND2' ' A' ' 502' ' ' ASN . 6.7 m-85 -97.27 -0.82 45.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 532' ' ' HIS . 9.9 p -50.09 -11.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.16 -60.81 0.95 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 0.0 OUTLIER -103.03 176.63 5.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.632 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.504 ' N ' ' OG1' ' A' ' 537' ' ' THR . 30.2 p -131.15 153.69 49.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.525 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 54.3 t-20 -148.58 134.58 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.17 -21.55 77.14 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.525 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 46.4 m-20 -53.58 -49.52 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.84 -35.99 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.4 m -67.49 -19.0 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.257 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 3.3 m -77.02 -49.76 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 12.4 p -69.65 -30.87 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.065 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 547' ' ' MET . 4.3 mt -73.85 -58.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 546' ' ' ILE . 0.2 OUTLIER -55.66 -29.83 59.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.43 -47.43 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.28 -25.91 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.551 ' CE1' HD21 ' A' ' 566' ' ' LEU . 1.4 m-85 -65.63 -55.02 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.488 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.1 -36.75 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 553' ' ' ARG . 1.9 tp10 -78.29 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 39.74 95.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 555' ' ' ALA . 11.4 m -68.4 167.17 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.523 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.534 ' N ' HG22 ' A' ' 554' ' ' THR . . . -53.32 -7.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 556' ' ' ILE . 0.9 OUTLIER -60.3 -1.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 559' ' ' LYS . 10.9 pt-20 -70.79 -16.71 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.354 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -47.06 -10.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.025 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 557' ' ' GLU . 58.9 mttm -94.27 138.66 32.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.399 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.8 m -104.21 -17.2 14.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.5 -9.72 46.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -81.77 -46.9 13.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.62 -31.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -59.92 -55.81 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.12 -56.77 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.449 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 550' ' ' PHE . 34.1 tp -46.79 -47.35 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.78 -42.44 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.19 -64.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.495 HD11 ' CE1' ' A' ' 550' ' ' PHE . 5.2 mt -43.49 -17.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -84.16 -40.15 8.77 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 569' ' ' ALA . 96.3 mt -65.53 -35.76 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.7 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 -55.32 23.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 12.8 m-85 -99.43 2.89 45.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 571' ' ' GLY . 9.5 ttp 43.5 26.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 67.18 48.9 56.73 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -172.52 133.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.633 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 125.63 103.46 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.637 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 20.7 mp0 -42.72 -20.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 578' ' ' GLY . 55.3 tp60 -55.46 -37.99 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 4.8 p -66.78 -42.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.535 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.0 OUTLIER -49.84 -38.25 34.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.991 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.11 -43.41 78.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 86.8 t -54.72 -34.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.355 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.69 -48.21 64.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.204 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -47.63 -31.75 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 33.6 m -73.85 -52.96 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.43 -23.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.7 t -77.7 -49.05 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.33 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.5 mp -76.86 128.9 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.483 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 3.2 pt-20 -59.15 97.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 1.8 m-70 -137.14 81.85 31.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.19 -21.87 19.78 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.616 2.21 . . . . 0.0 111.585 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.4 mtm -75.71 -49.13 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 p -79.01 -23.6 44.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 13.3 t -43.97 -32.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.53 78.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.161 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.19 -39.91 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.366 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 4.8 tm-20 -49.96 -34.54 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.21 -54.94 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 9.7 mp -49.2 -43.42 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.62 -24.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.49 -36.9 58.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.0 m -81.03 -58.46 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 31.9 t -74.77 87.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.506 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.774 0.321 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.25 -41.62 93.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.246 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -47.98 -83.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 2.4 pp -44.29 -20.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.417 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.636 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -58.47 -93.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.7 tt -45.67 -9.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.59 ' N ' ' O ' ' A' ' 494' ' ' GLY . . . -74.55 -32.92 62.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.511 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -51.73 -9.2 0.08 Allowed 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.785 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -83.59 -4.08 58.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.19 -54.54 7.1 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.715 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 78.1 p -136.7 -67.6 0.5 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.181 0.99 . . . . 0.0 112.749 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER -120.91 -28.85 4.73 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.76 -179.057 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 3.0 p-10 92.86 7.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.625 0.578 . . . . 0.0 110.511 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -37.23 44.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 504' ' ' GLU . 1.3 mp0 -51.95 -59.61 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 -39.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.85 -28.37 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.07 -27.04 58.93 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.7 -46.36 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.071 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 513' ' ' ALA . 8.1 mp -61.38 -48.38 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.6 mm? -45.39 -66.41 0.5 Allowed Pre-proline 0 C--N 1.329 -0.312 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.661 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -47.09 -47.02 17.77 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.132 1.888 . . . . 0.0 111.77 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.89 -22.05 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.51 -31.89 37.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.95 35.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 517' ' ' ASP . 53.0 p -138.02 73.65 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 35.9 p -49.56 -10.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 515' ' ' SER . 9.3 m-20 -38.96 -54.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.1 OUTLIER -83.56 152.73 64.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.24 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.14 153.85 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.444 2.096 . . . . 0.0 111.785 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 556' ' ' ILE . 24.6 pt -71.18 -14.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.63 -41.58 99.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.578 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.1 p -69.08 -55.77 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.31 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -67.33 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.9 mmt -48.86 -41.18 32.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.44 92.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.343 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.9 m -60.92 -45.69 93.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.99 -58.26 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.196 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.29 -34.48 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -58.6 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -57.15 -23.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.542 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 535' ' ' VAL . 34.4 t-80 -67.5 -51.94 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 497' ' ' PHE . 4.1 p -79.46 -29.34 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.04 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.467 ' CD1' ' ND2' ' A' ' 502' ' ' ASN . 0.8 OUTLIER -86.0 0.42 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.526 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.3 p -49.48 -14.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 110.265 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -97.82 -53.46 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 534' ' ' PHE . 19.2 p -87.78 177.36 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 0.0 110.333 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.4 t -149.48 156.82 42.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -162.48 144.67 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.14 -41.38 97.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -45.39 -55.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.6 mt -45.34 -46.89 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.1 m -64.34 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.1 m -63.17 -52.8 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -35.38 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.01 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.56 -50.14 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.46 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -50.36 -35.32 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -57.91 -46.35 85.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.44 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.59 -47.42 82.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 553' ' ' ARG . 29.6 tp10 -58.45 -56.06 26.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.777 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 552' ' ' GLU . 43.4 ttp180 30.48 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 556' ' ' ILE . 18.0 p -80.25 155.73 27.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.42 -7.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.422 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.09 -8.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 559' ' ' LYS . 9.4 mm-40 -60.07 -17.48 39.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.234 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -60.42 1.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.819 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 557' ' ' GLU . 23.1 ttmt -65.61 -137.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 72.5 p -101.77 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.99 69.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -67.83 -22.95 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.7 p -48.84 -21.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.654 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -66.7 -55.95 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.707 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -56.55 -36.81 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.5 HD21 ' CE2' ' A' ' 550' ' ' PHE . 46.9 tp -66.74 -26.64 67.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.71 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.3 -28.94 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -73.28 -56.22 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.99 -19.62 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.38 -56.11 3.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.82 -22.02 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.669 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.46 -58.51 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 576' ' ' GLY . 40.0 m-85 -78.98 -30.95 44.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 25.0 ttp 61.01 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -73.04 75.06 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -49.08 136.86 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.67 -147.85 6.35 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.7 -26.57 57.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.626 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -55.82 -50.25 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.42 -51.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -45.42 -36.72 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.77 -41.25 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.62 -56.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.5 mp -55.23 -45.38 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -51.26 -36.41 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.4 m -75.13 -47.8 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.39 -38.05 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.7 t -76.95 -20.54 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -67.51 -59.96 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 22.1 pt -76.97 167.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.59 91.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.679 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.98 78.98 58.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.188 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 597' ' ' SER . 3.3 Cg_exo -74.08 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.77 2.313 . . . . 0.0 112.067 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.418 ' C ' ' N ' ' A' ' 597' ' ' SER . 12.7 tpt -44.08 -52.86 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.617 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 598' ' ' ALA . 3.0 m -43.58 -23.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 595' ' ' MET . 42.6 p -43.68 -22.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 596' ' ' THR . . . -65.43 -40.91 93.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 92.4 mt -77.8 -28.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.422 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -58.34 -49.4 77.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.39 -31.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.39 -70.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.39 -42.9 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -53.41 -65.5 3.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 17.4 t -49.21 -46.12 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.38 88.33 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -73.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.22 -40.44 7.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.496 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.4 mp -65.89 -45.34 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.15 -43.92 73.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.6 pt -83.88 -4.81 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.64 -44.52 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 0.3 OUTLIER -58.28 -43.9 88.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -48.3 -5.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.89 -53.63 7.26 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.838 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.1 m -136.07 -67.04 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.674 0.737 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 -28.96 4.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.489 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.625 HD22 ' CG1' ' A' ' 533' ' ' VAL . 0.1 OUTLIER 72.69 17.64 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.102 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 504' ' ' GLU . 3.4 p30 -78.29 -54.46 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.505 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 503' ' ' ASP . 44.3 tt0 -46.02 -58.8 3.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.071 0.462 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.562 HG13 HD23 ' A' ' 509' ' ' LEU . 1.0 OUTLIER -54.99 -24.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.23 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 534' ' ' PHE . 0.2 OUTLIER -61.62 -53.14 60.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.418 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.418 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -62.05 -23.88 64.36 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.68 -37.4 18.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.019 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' A' ' 526' ' ' ALA . 0.3 OUTLIER -64.04 -50.19 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.331 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 3.6 mp -45.75 -65.56 0.64 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.713 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.66 -40.23 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.206 1.937 . . . . 0.0 111.59 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.69 -21.44 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.51 -15.56 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.784 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.82 0.4 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.2 t 41.71 58.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.4 p -65.77 -37.77 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -146.73 9.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 519' ' ' PRO . 0.1 OUTLIER -109.8 177.56 1.21 Allowed Pre-proline 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 518' ' ' LEU . 3.0 Cg_exo -77.37 153.25 31.02 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.625 2.217 . . . . 0.0 111.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.1 pt -72.37 -27.49 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.97 -63.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 11.9 m -50.71 -38.11 45.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.75 63.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.06 -52.01 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.507 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 5.0 mmt -54.2 -40.88 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 509' ' ' LEU . . . -71.21 -35.32 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.402 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 36.3 t -67.39 -44.26 79.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.5 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.4 -51.86 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.34 -31.62 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.494 HD21 ' CD2' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -63.72 -50.64 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.43 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.424 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 4.4 m-70 -58.25 -37.3 74.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 502' ' ' ASN . 91.0 t -75.17 -65.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.748 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.733 ' CE1' HD23 ' A' ' 506' ' ' LEU . 3.5 m-85 -61.68 0.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.3 p -49.53 -17.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.128 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -101.43 -42.84 2.27 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 534' ' ' PHE . 17.4 p -90.35 177.22 6.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 94.5 m -130.75 155.61 46.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 0.2 OUTLIER -176.75 118.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.137 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.74 -31.84 62.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -46.17 -42.92 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.54 -28.66 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.8 m -79.12 -30.49 43.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 42.3 p -60.45 -53.29 59.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 5.7 t -61.84 -50.4 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.056 0.455 . . . . 0.0 109.862 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.41 -34.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.09 -31.56 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.286 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.56 -36.62 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.328 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.5 -47.09 43.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.266 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' A' ' 566' ' ' LEU . 5.7 m-85 -47.45 -31.42 4.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.93 -36.88 30.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 553' ' ' ARG . 21.2 tt0 -63.1 -55.93 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 552' ' ' GLU . 13.4 mmm180 27.95 81.31 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.455 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.606 ' C ' ' H ' ' A' ' 556' ' ' ILE . 1.0 OUTLIER -91.28 148.03 22.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.26 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -55.62 -1.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.481 . . . . 0.0 110.177 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.606 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -69.3 -21.0 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.401 ' CB ' ' HE1' ' A' ' 562' ' ' TRP . 0.1 OUTLIER -72.16 -23.39 61.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.034 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 558' ' ' LEU . 4.3 mm? -47.53 -37.76 12.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.377 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -55.08 -63.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 75.4 p -93.0 -160.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -140.69 39.9 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.416 ' CE3' HD13 ' A' ' 566' ' ' LEU . 1.2 p-90 -53.86 -25.51 20.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.2 p -47.21 -39.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.704 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 563' ' ' VAL . 14.7 mmt180 -62.22 -56.01 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -59.78 -21.45 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.682 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.416 HD13 ' CE3' ' A' ' 562' ' ' TRP . 0.9 OUTLIER -77.62 -22.93 50.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.53 19.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.75 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 568' ' ' LEU . 3.9 mm? -71.19 -27.84 63.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.662 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -75.98 -44.45 39.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 11.7 tp -77.51 -20.81 53.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -80.72 -45.85 7.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 tt -72.4 -23.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.6 -38.85 47.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.552 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -102.8 30.7 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 575' ' ' MET . 2.0 tmt? -83.05 124.42 30.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 111.61 -40.45 2.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.31 167.3 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -144.43 -57.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.93 -39.07 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.279 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.73 -39.67 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.6 -55.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.456 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 28.7 m-20 -45.09 -37.57 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -65.68 -44.37 86.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.456 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.2 -57.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.75 -38.57 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -56.96 -32.0 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.396 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.9 m -81.21 -55.0 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 80.8 mt -52.07 -31.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -72.99 -46.1 54.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.53 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 592' ' ' GLU . 14.2 mm -70.05 165.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 591' ' ' ILE . 26.7 mt-10 -41.33 130.28 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 6.1 p80 -137.37 75.74 44.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.769 2.313 . . . . 0.0 111.94 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -96.48 -32.86 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 71.1 p -50.02 -24.36 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 11.5 t -48.94 -45.53 41.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -45.07 -33.61 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.5 -44.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.435 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.3 OUTLIER -50.51 -63.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.02 -48.43 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.36 -42.92 13.86 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 607' ' ' ALA . 20.4 t -72.18 -33.11 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.683 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.73 15.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 605' ' ' SER . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 494' ' ' GLY . 5.1 mm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.73 0.3 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.98 -60.45 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.78 -48.7 36.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.0 mp -72.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -70.13 -39.22 72.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 59.6 mt -88.92 -38.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 110.758 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -67.27 -32.12 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 1.3 m-85 -50.1 -7.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -48.99 -36.88 18.66 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.559 ' O ' ' ND2' ' A' ' 502' ' ' ASN . . . -87.8 -8.06 73.68 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.652 ' HB3' HG11 ' A' ' 533' ' ' VAL . 24.8 t -46.22 -13.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.0 OUTLIER -75.21 33.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.071 0.463 . . . . 0.0 110.186 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 499' ' ' GLY . 2.3 m-80 -109.31 164.01 12.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.171 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -78.19 -12.77 60.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.613 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.94 -58.22 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.504 HG11 ' OG ' ' A' ' 500' ' ' SER . 13.1 t -58.41 -35.81 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.261 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.539 HD13 ' CZ ' ' A' ' 534' ' ' PHE . 22.1 tp -66.53 -52.37 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.453 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -67.36 -20.51 71.56 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.3 tp -87.38 -58.06 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.006 0.432 . . . . 0.0 111.232 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 530' ' ' LEU . 1.5 tp -58.26 -28.13 64.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mp -59.56 -65.77 1.86 Allowed Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.946 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -48.26 -29.47 13.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.922 1.748 . . . . 0.0 111.154 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 57.6 mt -86.74 -26.54 6.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.475 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.38 -10.55 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' A' ' 549' ' ' ASN . . . -81.53 3.81 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.3 t 38.96 78.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 37.4 p -80.61 -38.45 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.609 ' H ' HD23 ' A' ' 518' ' ' LEU . 16.1 m-20 -161.67 37.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -138.24 150.27 66.25 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.178 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.28 143.31 8.02 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.502 2.135 . . . . 0.0 111.929 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.602 HD11 ' H ' ' A' ' 554' ' ' THR . 90.4 mt -73.49 -23.96 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.306 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.5 -44.92 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 60.9 p -72.82 -55.61 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.2 -21.23 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -68.88 -63.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.9 mtt -54.97 -37.18 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.77 94.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.5 m -52.76 -57.87 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.18 -46.14 62.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -53.65 -35.48 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 509' ' ' LEU . 0.2 OUTLIER -65.75 -30.05 70.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.08 -43.52 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 17.4 t-80 -56.8 -33.5 66.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.652 HG11 ' HB3' ' A' ' 500' ' ' SER . 41.3 t -80.67 -49.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.245 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 506' ' ' LEU . 18.0 m-85 -77.94 0.47 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -49.98 -10.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -94.37 -41.74 4.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 534' ' ' PHE . 13.0 t -133.21 154.37 50.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 67.2 m -103.63 164.14 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 110.657 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 10.3 t-20 -155.27 140.27 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.48 65.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 544' ' ' THR . 7.3 m-20 -45.99 -57.98 3.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.341 . . . . 0.0 110.754 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.64 -27.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 3.9 m -81.24 -35.04 31.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -55.19 -34.81 64.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.7 m -83.39 -59.9 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.71 -45.02 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.27 -44.52 83.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.616 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -48.41 -41.15 28.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.296 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 513' ' ' ALA . 54.0 m-20 -66.63 -52.62 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.389 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.19 -31.33 0.37 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.9 mp -87.02 -41.24 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.56 -55.34 18.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 47.95 91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.602 ' H ' HD11 ' A' ' 520' ' ' ILE . 10.1 m -59.31 162.88 4.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -45.27 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.708 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.36 -5.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 555' ' ' ALA . 7.9 pt-20 -57.32 -16.76 9.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.228 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -71.1 1.68 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.816 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -113.75 167.29 10.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.224 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.4 m -154.38 89.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -173.54 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.485 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -62.37 -26.95 68.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.4 p -48.94 -21.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -69.94 -44.5 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.33 -59.33 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.6 -45.69 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.24 -57.77 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.135 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -48.26 -45.14 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.31 -17.11 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.22 -57.53 2.35 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 572' ' ' ILE . 1.8 mp -64.02 -37.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 50.5 tp -44.15 -54.38 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 576' ' ' GLY . 7.5 m-85 -88.21 -18.96 27.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 11.4 ttt 60.38 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 164.58 68.43 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -74.31 -94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -165.01 -126.0 0.8 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -45.86 -21.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.02 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 92.3 t -58.24 -53.54 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.34 -42.15 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.07 -45.95 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.549 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 49.0 t -56.99 -61.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.8 mp -46.13 -48.77 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' A' ' 586' ' ' GLU . 1.6 tm-20 -46.61 -39.04 10.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.373 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 11.1 m -68.32 -44.26 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.3 mt -66.09 -30.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.8 p -79.42 -14.7 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -79.18 -57.69 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.2 pt -73.59 -170.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.665 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -69.76 130.16 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 8.4 p80 -137.16 76.41 44.77 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -74.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.746 2.298 . . . . 0.0 111.914 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 10.5 ptp -91.52 -18.63 23.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.502 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 85.2 m -54.91 -24.67 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.1 m -45.4 -26.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.89 73.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 599' ' ' ILE . 4.6 mp -73.24 -29.81 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.73 -36.57 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.59 -64.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.68 -52.77 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.86 -56.76 7.32 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m -60.81 -22.57 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.0 t -99.64 80.93 2.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.6 mm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.2 tp -68.47 -67.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.62 -36.39 8.07 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.456 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 4.6 tp -86.65 -14.95 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -78.78 -7.55 88.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.22 -23.78 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.811 0.338 . . . . 0.0 110.387 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.622 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -79.94 -57.85 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -57.7 6.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.622 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.99 -15.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.658 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.665 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -52.22 -1.98 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 498' ' ' ALA . 0.9 OUTLIER -37.32 -16.72 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.477 0.179 . . . . 0.0 111.391 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -75.91 26.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 504' ' ' GLU . 52.5 m-20 -143.28 121.02 11.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.082 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -51.11 -5.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 502' ' ' ASN . 28.4 tt0 -81.7 -44.98 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 110.574 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.24 -62.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 510' ' ' LEU . 2.0 pp -65.15 -22.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.6 96.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.82 -40.14 15.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.3 -24.52 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 506' ' ' LEU . 1.7 mp -68.65 -66.33 1.06 Allowed Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.642 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -45.5 -30.06 5.54 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.139 1.892 . . . . 0.0 111.259 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.53 -40.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -84.76 -11.01 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.772 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -82.11 13.18 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 54.4 p 40.96 63.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.656 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.9 p -77.34 -31.02 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -170.61 44.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.65 151.56 28.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.33 145.6 2.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.447 2.098 . . . . 0.0 111.736 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 523' ' ' ALA . 19.7 mt -73.5 -30.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.48 ' O ' ' SD ' ' A' ' 525' ' ' MET . 41.7 mt-10 -41.31 -32.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 67.5 p -85.29 -34.7 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -67.63 -40.1 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.23 83.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.3 mpt? -71.11 -46.08 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.64 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.644 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.6 m -76.39 -44.62 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.64 -51.2 69.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.75 80.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.7 OUTLIER -63.06 -22.39 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -83.5 -39.04 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -79.64 -16.15 56.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.997 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.461 HG21 ' CE1' ' A' ' 497' ' ' PHE . 0.6 OUTLIER -88.55 -34.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.445 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.55 -0.26 46.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -49.97 -18.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.499 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.81 -62.73 2.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.8 p -96.14 177.02 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 40.8 t -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 8.1 t-20 -172.16 124.96 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.73 -34.07 35.93 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 30.1 t0 -43.76 -37.93 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.617 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.97 -40.71 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.5 m -67.5 -32.17 72.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.6 m -62.24 -38.89 90.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.44 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.369 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -41.38 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 14.8 ttm -70.4 -35.12 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.82 -58.46 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.285 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -56.56 -41.0 76.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.316 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -56.25 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 12.7 mt -48.03 -30.16 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 553' ' ' ARG . 41.7 mt-10 -83.25 -56.23 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.676 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 552' ' ' GLU . 54.1 ttp180 30.28 75.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.26 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 556' ' ' ILE . 7.8 p -69.41 158.33 35.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -42.27 -18.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.107 0.48 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.57 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -52.35 -10.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.957 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 559' ' ' LYS . 1.0 OUTLIER -73.0 -16.63 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.7 pt? -43.05 -16.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 557' ' ' GLU . 8.3 ttpp -75.06 137.29 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 562' ' ' TRP . 52.8 p -82.72 174.98 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 8.8 t70 61.95 2.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.832 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 560' ' ' THR . 74.2 t90 -81.17 -49.87 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.81 -28.44 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -62.95 -55.88 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -60.57 -45.39 94.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.84 -32.83 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.29 -53.45 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.0 mp -54.56 -44.58 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.56 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.99 -14.21 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.9 -48.49 5.45 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.45 -26.81 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.486 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 tp -67.88 -48.16 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -92.96 23.54 4.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.277 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 5.2 ttt -50.16 125.05 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.475 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 53.11 82.41 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -125.18 -168.24 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 580' ' ' GLN . . . -146.49 -133.99 2.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -47.37 -18.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 578' ' ' GLY . 3.8 tp-100 -57.2 -34.66 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.79 -47.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -50.15 -39.96 45.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.23 -50.1 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.32 -41.14 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.687 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.58 -54.9 36.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -44.37 -55.26 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 45.9 m -52.68 -50.41 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.16 -29.13 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.6 m -82.31 -21.45 36.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.9 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.421 HD12 ' CE1' ' A' ' 593' ' ' HIS . 21.8 pt -64.49 143.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.28 88.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 591' ' ' ILE . 13.5 m80 -137.22 82.83 28.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -72.48 -19.95 24.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.593 2.196 . . . . 0.0 111.848 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.99 -59.5 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 598' ' ' ALA . 51.1 m -47.47 -23.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 14.3 m -43.95 -21.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.616 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -64.96 -38.98 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 57.5 mt -80.12 -26.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -53.56 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.88 -30.81 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.14 -70.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.67 -14.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.58 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.37 -76.41 0.97 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 46.5 m -49.41 -32.02 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.66 48.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.8 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 491' ' ' LEU . 10.9 mp -62.18 -67.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.432 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.12 -71.58 0.36 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 1.2 mp -44.63 -41.76 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.75 -65.77 2.66 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.1 pt -65.34 -10.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 111.392 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -69.5 -48.3 61.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 505' ' ' VAL . 0.7 OUTLIER -49.98 -40.76 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.159 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.05 -4.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.223 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.97 -53.74 7.27 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.046 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 90.5 p -136.03 -67.03 0.53 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.915 0.857 . . . . 0.0 112.387 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.67 -29.23 4.74 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.435 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 0.1 OUTLIER 72.95 3.66 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.559 -179.634 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.23 -32.51 49.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -65.7 -47.12 76.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.295 0.569 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 497' ' ' PHE . 2.6 t -56.06 -48.55 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.888 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 530' ' ' LEU . 7.2 tp -54.88 -26.69 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.262 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.35 -44.1 75.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 508' ' ' LEU . 7.9 mp -87.1 -49.53 7.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.899 0.38 . . . . 0.0 111.313 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.49 -27.03 23.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.233 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 8.1 mt -64.66 -66.83 1.25 Allowed Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.37 -31.53 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.171 1.914 . . . . 0.0 111.377 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 58.4 mt -85.83 -30.16 6.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.517 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.97 -10.79 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.0 12.92 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 73.9 m 41.25 73.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.0 p -86.71 -33.81 19.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -158.59 18.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.819 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.84 154.16 80.03 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.176 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.82 149.16 1.22 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.566 2.177 . . . . 0.0 111.897 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 pt -73.53 -18.62 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.89 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 12.3 p -51.04 -43.66 60.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.96 66.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.43 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 59.3 mtt -52.13 -39.13 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.477 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.38 -53.19 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 m -53.52 -38.2 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.34 -46.19 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.1 73.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 533' ' ' VAL . 77.2 mt -57.84 -54.44 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.82 -35.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.61 59.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.486 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 530' ' ' LEU . 94.7 t -84.96 -34.91 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' A' ' 506' ' ' LEU . 28.7 m-85 -90.31 0.08 57.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 535' ' ' VAL . 14.5 p -49.97 -12.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.289 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -111.36 -47.01 0.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 7.9 p -85.2 177.28 7.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.458 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 82.9 m -123.29 167.99 13.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 3.2 m-20 168.81 120.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.194 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -77.26 -31.0 53.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -49.07 -31.83 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.319 . . . . 0.0 110.578 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.19 -44.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.5 m -71.48 -35.32 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.7 m -50.73 -59.04 4.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.42 ' HB3' HD22 ' A' ' 510' ' ' LEU . 60.1 p -62.44 -54.66 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.45 -41.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.052 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.5 tpt -58.66 -55.19 38.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -36.4 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -62.24 -53.08 60.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.58 -47.39 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -71.15 -38.93 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.4 tp10 -72.91 -10.28 59.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -44.61 92.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.8 m -76.95 163.36 26.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.553 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.78 -8.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.18 -3.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -56.84 -23.37 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.262 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.0 OUTLIER -62.06 1.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.641 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 557' ' ' GLU . 36.8 mmtt -73.89 -94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.428 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 60.5 p -116.3 -172.76 2.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -105.86 31.39 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -20.36 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.4 p -44.53 -37.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 563' ' ' VAL . 32.1 mtp85 -58.3 -55.35 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.9 -34.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.43 -38.9 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -74.23 -37.43 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -31.79 73.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.27 -18.35 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.05 -58.66 2.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.5 tt -65.03 -25.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.793 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 tp -46.33 -52.46 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 576' ' ' GLY . 14.1 m-85 -87.08 13.31 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.78 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.434 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -156.64 81.49 0.16 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -146.55 122.95 11.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 582' ' ' ASP . . . -80.25 -36.1 25.05 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.34 -52.01 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -67.58 -48.18 67.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.12 -22.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 578' ' ' GLY . 31.1 t0 -72.48 -45.01 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.81 -43.29 79.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.93 -50.57 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 66.1 mt -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.482 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -44.74 -43.72 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.3 m -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.354 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.18 -37.61 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 23.2 t -51.56 -38.22 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.589 ' HB3' HD12 ' A' ' 591' ' ' ILE . . . -73.35 -41.24 63.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 590' ' ' ALA . 4.4 mp -125.86 112.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 600' ' ' GLU . 12.7 pt-20 -155.76 140.92 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 157.4 58.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.87 -38.34 9.81 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.645 2.23 . . . . 0.0 111.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 595' ' ' MET . 1.2 mpt? -81.97 -40.89 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.2 m -44.53 -30.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.8 t -49.12 -40.93 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.79 77.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 43.6 mt -68.9 -44.14 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.432 ' OE1' ' OE2' ' A' ' 592' ' ' GLU . 51.2 mt-10 -53.15 -40.03 63.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.0 -25.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.2 -69.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.35 -28.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.62 -60.58 8.25 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.4 p -51.26 -35.83 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.1 t -79.27 62.85 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.704 0.288 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -76.73 -71.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.283 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.82 -48.01 24.42 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 496' ' ' ALA . 1.9 tp -74.61 -21.44 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.095 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.71 -48.31 61.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.6 tt -83.86 -30.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 493' ' ' LEU . . . -67.68 -22.93 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.3 OUTLIER -43.4 -32.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.565 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -55.46 -7.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.637 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.19 -3.47 82.27 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 502' ' ' ASN . 4.9 m -44.18 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.712 0.291 . . . . 0.0 110.79 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 499' ' ' GLY . 17.1 mmtp -77.1 32.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.318 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -147.85 155.0 41.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.232 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 -74.31 -4.94 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -78.85 -57.67 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.029 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.4 -62.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.939 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.28 -29.1 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.08 89.91 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 508' ' ' LEU . 10.3 mp -85.81 -27.44 25.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.68 0.276 . . . . 0.0 111.168 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -44.64 95.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.01 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mm? -50.33 -66.26 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.892 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.83 -57.36 2.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.191 1.927 . . . . 0.0 111.779 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -28.53 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.708 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -81.02 -17.27 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.16 12.38 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.8 m 44.12 56.46 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 21.6 p -51.96 -45.99 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.525 ' H ' HD23 ' A' ' 518' ' ' LEU . 0.1 OUTLIER -173.27 26.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -113.42 152.38 45.22 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.333 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.72 147.26 3.17 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.499 2.132 . . . . 0.0 111.85 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.613 HD11 ' H ' ' A' ' 554' ' ' THR . 73.2 mt -63.4 -41.78 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -45.6 -52.12 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 6.7 m -61.58 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.26 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -80.66 -36.72 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.8 tpt -72.67 -47.88 43.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.68 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 31.3 p -56.71 -45.67 81.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -52.41 -48.26 65.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.95 92.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -57.67 -48.45 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.49 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 535' ' ' VAL . 54.0 t60 -69.64 -43.55 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.03 -39.23 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.468 ' C ' ' N ' ' A' ' 536' ' ' GLY . 2.4 m-85 -85.64 0.67 51.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.552 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.7 p -49.84 -12.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.315 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -98.27 -45.53 2.35 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.2 t -97.84 177.2 5.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 537' ' ' THR . 12.3 t -141.93 135.64 29.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -143.91 143.18 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.35 78.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.5 -57.57 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 534' ' ' PHE . 96.4 mt -48.4 -40.58 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.1 m -59.27 -46.82 87.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 7.2 m -56.09 -29.43 60.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 510' ' ' LEU . 0.0 OUTLIER -83.96 -55.57 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 tp -55.67 -32.49 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.606 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -72.43 -49.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.277 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -47.12 -41.59 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.87 -38.25 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.04 -62.87 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 553' ' ' ARG . 5.5 mm-40 -53.73 -56.27 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.734 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.489 HH22 ' CD1' ' A' ' 599' ' ' ILE . 6.8 mtt180 33.59 88.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.613 ' H ' HD11 ' A' ' 520' ' ' ILE . 3.6 m -65.16 161.75 18.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.502 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 557' ' ' GLU . . . -48.69 -10.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.567 ' CG2' HD12 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -53.41 -11.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.381 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 559' ' ' LYS . 11.2 pt-20 -58.03 -16.85 14.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.2 pp -39.56 -28.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 557' ' ' GLU . 26.4 ttmt -88.67 133.8 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.8 t -116.77 34.49 5.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.32 -38.59 3.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.434 ' CZ3' HD22 ' A' ' 566' ' ' LEU . 6.7 p-90 -70.72 -24.94 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.62 -31.06 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.13 -44.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.424 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.62 -49.49 53.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' A' ' 562' ' ' TRP . 10.8 tp -59.29 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -51.35 -33.67 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.93 -49.58 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.18 52.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 570' ' ' LEU . 18.2 tp -70.66 -19.91 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.91 -58.67 2.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 573' ' ' LEU . 18.4 tt -58.45 -47.66 87.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 572' ' ' ILE . 25.9 tp -48.28 -60.6 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 3.7 m-85 -83.3 9.49 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.245 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 28.0 mtt 54.75 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 149.92 38.01 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.23 120.93 3.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 135.41 139.64 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.84 -16.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.95 -37.26 68.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.443 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.34 -37.11 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.62 -42.88 84.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -62.87 -50.9 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.1 -45.37 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.94 -24.8 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.312 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.65 -41.88 62.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 62.2 m -64.86 -50.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.425 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.8 mt -54.24 -49.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 28.6 t -49.55 -49.38 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.21 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.87 83.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.459 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 592' ' ' GLU . 1.1 pp20? -130.1 143.77 50.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 595' ' ' MET . 5.6 m-70 -110.17 156.8 39.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.168 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.79 -18.87 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.612 2.208 . . . . 0.0 111.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 595' ' ' MET . 0.0 OUTLIER -92.85 -50.81 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 13.5 m -58.18 -28.9 65.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.3 m -48.19 -28.79 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.89 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.489 ' CD1' HH22 ' A' ' 553' ' ' ARG . 87.8 mt -68.3 -36.71 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 604' ' ' GLY . 50.7 tt0 -59.02 -45.99 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.5 -59.33 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -51.78 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.24 -30.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -86.83 19.19 30.88 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m -135.03 -57.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.0 49.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.51 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 494' ' ' GLY . 23.7 mm . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.713 0.292 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tt -65.0 -76.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.127 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.12 -50.17 22.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.8 tp -71.06 -12.03 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.049 0.452 . . . . 0.0 110.021 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 494' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -65.02 -48.43 71.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 19.6 tt -87.88 -12.84 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.79 -23.98 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 499' ' ' GLY . 16.6 m-85 -55.26 -5.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.49 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.12 -19.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.609 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -66.16 -2.53 14.11 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 502' ' ' ASN . 0.4 OUTLIER -38.87 -18.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.629 0.252 . . . . 0.0 111.18 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 499' ' ' GLY . 1.3 mptm? -76.56 25.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.0 0.429 . . . . 0.0 109.933 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 499' ' ' GLY . 28.0 p30 -139.7 155.94 47.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.26 -3.9 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.41 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -81.34 -42.02 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.797 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 15.4 t -71.48 -62.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLY . . . . . 0.513 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -76.35 -19.54 78.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.98 -56.85 3.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.67 -35.55 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mm? -58.2 -65.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.047 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.513 ' CD ' ' O ' ' A' ' 507' ' ' GLY . 2.8 Cg_endo -46.93 -59.84 1.1 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.347 2.031 . . . . 0.0 112.26 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 10.9 pt -58.93 -27.7 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.883 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.06 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.83 34.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 517' ' ' ASP . 12.3 t -137.48 77.81 1.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 518' ' ' LEU . 44.8 p -53.1 -10.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 515' ' ' SER . 22.2 m-20 -40.96 -21.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -124.53 155.21 69.46 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.199 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.57 143.51 3.92 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.565 2.177 . . . . 0.0 111.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.5 pt -73.42 -15.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.446 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -53.03 -40.75 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.6 m -82.68 -46.92 12.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.03 79.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.33 9.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.1 tpt -52.54 -48.84 65.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.236 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.93 71.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.4 p -54.12 -46.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.395 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -45.01 -54.5 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.257 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -52.93 -48.68 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -46.32 -48.49 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.27 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -46.02 -28.79 1.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 529' ' ' ALA . 93.8 t -81.87 -69.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.626 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 2.1 m-85 -61.94 0.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.671 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.464 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.0 p -49.74 -27.13 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.429 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.09 -42.96 8.4 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 61.7 p -93.86 177.4 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.48 125.96 17.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -147.38 149.98 33.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.53 -33.96 37.13 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.67 -44.09 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.761 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.57 -56.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.659 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 29.6 m -53.25 -32.61 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 19.8 m -60.34 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -52.85 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 547' ' ' MET . 0.6 OUTLIER -52.8 -51.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.445 ' N ' HG22 ' A' ' 546' ' ' ILE . 3.5 tpt -63.36 -42.4 98.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.59 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.043 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -63.06 -36.65 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -48.81 -40.34 28.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.637 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.02 -59.1 2.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.488 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' ARG . 61.2 tt0 -45.26 -55.77 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 552' ' ' GLU . 51.7 ttp180 36.1 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 556' ' ' ILE . 26.3 p -67.97 145.82 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.459 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -41.95 -21.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 0.0 109.789 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.2 OUTLIER -55.59 -3.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.902 179.363 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 555' ' ' ALA . 1.3 pt-20 -69.56 -16.92 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.317 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.2 pt? -48.55 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.985 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 557' ' ' GLU . 8.1 tttp -93.71 120.16 33.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 561' ' ' ASP . 5.7 t -82.45 -169.36 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 560' ' ' THR . 6.1 t0 84.62 -64.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 559' ' ' LYS . 2.8 p-90 -49.45 -33.01 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.792 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.17 -22.21 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -69.88 -55.79 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.71 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.6 -30.3 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.02 -55.28 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.716 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.33 -38.06 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.88 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 2.4 tp -62.05 -20.89 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -83.98 -52.57 3.6 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 4.9 mm -71.4 -21.95 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.475 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.0 tp -50.45 -59.04 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.443 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 13.0 m-85 -73.22 -3.62 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 52.82 80.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 77.86 -141.62 25.57 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 577' ' ' GLN . 6.0 mp0 -73.68 -173.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 149.65 121.31 1.08 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -41.41 -25.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 578' ' ' GLY . 82.6 mm-40 -55.91 -54.95 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.61 -56.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.69 -39.72 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.63 -44.75 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.83 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.42 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.1 mt -49.76 -41.5 44.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.12 -27.73 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.7 m -77.2 -52.12 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.21 -33.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 40.2 t -74.26 -34.69 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.66 -61.84 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 26.3 pt -72.13 174.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 5.3 mp0 -63.62 131.21 47.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.51 ' ND1' ' OG ' ' A' ' 597' ' ' SER . 3.0 p80 -137.2 75.6 46.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -66.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.774 2.316 . . . . 0.0 111.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 27.7 mtt -94.46 -9.65 34.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.9 m -77.75 -34.29 52.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.51 ' OG ' ' ND1' ' A' ' 593' ' ' HIS . 70.0 m -43.91 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -63.59 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.29 -30.27 45.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -58.62 -61.63 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.44 -23.96 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.9 -55.01 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.33 -49.22 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -47.16 -35.85 9.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.6 t -77.5 -34.04 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 606' ' ' CYS . 43.7 t -79.04 13.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.467 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 6.9 p -146.78 112.01 5.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.519 ' NZ ' ' OG ' ' A' ' 486' ' ' SER . 7.3 mtmp? -59.55 143.0 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.483 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 12.5 pt -47.77 -33.96 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.519 ' OG ' ' NZ ' ' A' ' 484' ' ' LYS . 13.6 p -73.12 -40.92 64.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.2 p -59.84 -45.86 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.36 77.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -51.61 -46.29 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.91 -37.58 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.467 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -49.52 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.49 -40.51 31.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.6 -31.17 71.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 109.969 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.33 80.39 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.45 -38.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 0.0 110.422 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.572 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.22 -23.41 54.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -53.87 -1.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.71 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.572 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -56.23 -35.64 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.555 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -83.27 -3.53 90.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.705 ' HB2' HG11 ' A' ' 533' ' ' VAL . 68.5 m -45.1 -12.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 499' ' ' GLY . 56.9 mttp -74.89 33.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.399 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 504' ' ' GLU . 3.0 m120 -120.0 128.62 53.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.151 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -46.41 -12.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 502' ' ' ASN . 31.4 tt0 -76.87 -55.44 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.235 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.63 -37.57 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 510' ' ' LEU . 6.8 tp -63.92 -30.06 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.66 -27.66 56.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.91 -44.54 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 513' ' ' ALA . 3.6 mm? -61.78 -49.74 75.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -45.34 -66.05 0.55 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.98 -41.32 26.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.136 1.89 . . . . 0.0 111.699 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.35 -21.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -85.35 -18.7 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.11 56.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 26.8 t 44.16 81.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.7 p -73.97 -12.45 60.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.08 -57.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.2 OUTLIER -45.66 149.89 1.02 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.73 139.97 13.21 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.3 2.0 . . . . 0.0 111.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 520' ' ' ILE . 16.8 pt -73.33 -14.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.276 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.68 -55.13 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 22.5 p -61.87 -40.17 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.34 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.04 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.1 mmt -62.78 -49.63 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.44 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 25.8 m -56.76 -32.32 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.9 tt -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.86 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -48.28 -46.9 36.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.296 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.14 -52.31 64.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -42.18 -26.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 500' ' ' SER . 60.0 t -88.82 -59.47 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 536' ' ' GLY . 16.9 m-85 -70.49 0.43 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.6 p -49.96 -13.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -107.25 -35.33 2.72 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 534' ' ' PHE . 33.4 p -99.97 177.24 5.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.0 p -138.81 150.07 45.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 56.1 t-20 -160.78 138.42 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -79.0 -17.28 77.35 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -62.59 -57.79 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -45.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.0 m -56.76 -39.56 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.326 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.3 m -51.78 -55.59 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.1 m -63.49 -43.61 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.85 -26.0 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.488 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 9.3 tpt -76.91 -50.69 12.72 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -51.98 -36.54 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -71.15 -36.38 72.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.511 ' O ' ' NE ' ' A' ' 553' ' ' ARG . 0.2 OUTLIER -54.54 -35.79 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.2 mt -88.95 -28.98 19.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -75.46 -7.37 53.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 550' ' ' PHE . 85.4 mtm180 -40.59 105.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.751 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 556' ' ' ILE . 21.3 p -79.7 166.31 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -40.41 -22.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.307 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -53.89 -7.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.827 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.593 ' C ' ' H ' ' A' ' 559' ' ' LYS . 2.6 pt-20 -65.37 -16.41 63.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.324 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -53.46 -0.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.994 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' A' ' 557' ' ' GLU . 40.2 mmtt -80.89 -168.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.767 0.317 . . . . 0.0 110.254 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 33.0 m -165.23 75.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -173.42 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.545 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -64.55 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.545 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.2 p -65.29 -42.02 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.737 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 563' ' ' VAL . 10.0 ttp180 -60.56 -35.44 76.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.95 -39.6 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.43 -42.8 99.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.81 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.462 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.79 -41.01 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.36 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.87 -27.32 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.67 -29.73 28.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.0 mt -71.41 -33.22 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.86 -27.72 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 28.1 m-85 -118.8 35.05 4.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.641 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.7 ttt -50.88 -32.75 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -90.81 25.91 12.38 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.17 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 166.2 137.09 2.14 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.48 -25.48 6.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -56.04 -44.59 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.96 -41.7 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 582' ' ' ASP . 51.6 t0 -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.428 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.75 -45.35 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.21 -61.08 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.4 mp -50.01 -43.66 50.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.64 -31.89 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -71.39 -40.22 70.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 43.2 mt -60.79 -43.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 33.0 t -63.94 -30.34 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.15 96.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 62.9 mt -98.78 123.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' A' ' 593' ' ' HIS . 3.2 tm-20 -62.61 129.4 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.563 ' O ' ' O ' ' A' ' 594' ' ' PRO . 0.1 OUTLIER -136.95 158.27 73.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.366 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.568 ' C ' ' H ' ' A' ' 596' ' ' THR . 2.5 Cg_endo -47.68 -160.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.943 2.428 . . . . 0.0 112.298 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 597' ' ' SER . 10.7 ptt? -55.83 -0.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.568 ' H ' ' C ' ' A' ' 594' ' ' PRO . 8.3 m -42.52 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 595' ' ' MET . 20.2 m -46.89 -30.45 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.46 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -65.21 -40.98 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.14 -40.92 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.77 -33.81 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -62.97 -67.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.85 -24.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.3 -29.87 71.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 83.6 p -77.84 -39.39 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.682 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.14 85.65 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -171.22 -148.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.404 ' C ' ' H ' ' A' ' 610' ' ' GLY . 26.5 m-85 -45.44 128.38 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 5.9 t -74.24 43.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 608' ' ' TYR . . . -163.5 -38.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 49.9 p 46.8 72.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.056 -1.414 . . . . 0.0 110.883 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.403 ' O ' ' OG ' ' A' ' 487' ' ' SER . 0.0 OUTLIER -170.38 120.7 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 73.2 tttt 57.66 105.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 485' ' ' ILE . 3.0 mp -40.49 -36.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 12.9 m -47.92 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 483' ' ' THR . 0.0 OUTLIER -48.45 -51.01 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -52.67 -37.56 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -61.48 -40.68 95.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 494' ' ' GLY . 13.5 mm -67.63 -43.24 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.446 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.0 tp -49.88 -61.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.22 -67.86 1.96 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -22.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.053 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -61.63 -79.22 0.14 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 23.2 pt -62.24 3.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -79.83 -63.55 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.725 ' CZ ' HG22 ' A' ' 533' ' ' VAL . 25.3 p90 -48.69 -49.24 38.63 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.871 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.71 ' N ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.83 -6.05 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.629 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -47.2 -54.8 9.47 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.538 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.9 t -136.87 -65.34 0.55 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.657 0.729 . . . . 0.0 112.54 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.7 OUTLIER -118.65 -28.01 5.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.333 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 0.4 OUTLIER 85.81 0.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 36.3 p-10 -78.51 -20.04 51.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.99 -56.2 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 110.169 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.34 -27.71 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 510' ' ' LEU . 4.4 tt -64.86 -35.29 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.379 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.471 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -74.63 -25.63 69.5 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 mp -87.09 -44.23 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.5 OUTLIER -62.8 -45.03 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.499 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.0 mm? -48.16 -65.91 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.39 -44.9 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.229 1.953 . . . . 0.0 111.784 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.08 -18.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.01 -36.09 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.648 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.93 2.14 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 517' ' ' ASP . 32.2 m -93.8 61.37 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -12.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 515' ' ' SER . 8.6 t70 -42.6 -31.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.62 151.11 38.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.42 147.05 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.422 2.081 . . . . 0.0 111.746 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.619 HD11 ' CG2' ' A' ' 556' ' ' ILE . 34.8 pt -71.37 -24.7 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -51.26 -32.03 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -51.11 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.89 -26.22 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -59.22 -59.24 5.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.2 mmt -57.23 -56.86 16.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.9 t -64.34 -36.45 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.5 tt -54.17 -55.78 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 532' ' ' HIS . . . -57.19 -49.41 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -41.95 -39.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.361 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.28 73.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.6 OUTLIER -73.5 -15.01 61.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.293 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.725 HG22 ' CZ ' ' A' ' 497' ' ' PHE . 63.2 t -85.3 -57.3 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 1.5 m-85 -77.13 1.05 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.617 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 535' ' ' VAL . 7.8 p -49.28 -12.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.396 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -91.44 -51.88 2.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 55.9 p -99.37 177.11 5.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -165.76 117.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.67 -19.74 79.74 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -55.52 -42.58 74.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.75 -51.78 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.722 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 5.3 m -54.77 -22.83 15.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 2.8 m -71.29 -51.51 24.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.433 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.405 ' HB3' HD13 ' A' ' 510' ' ' LEU . 5.8 p -65.57 -43.99 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.185 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 547' ' ' MET . 1.7 mt -57.06 -55.01 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.147 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.43 ' N ' HG22 ' A' ' 546' ' ' ILE . 2.6 tpt -58.43 -41.87 86.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.574 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -55.88 -51.28 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.421 HD21 HG22 ' A' ' 520' ' ' ILE . 4.0 t-20 -56.89 -36.63 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.414 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -60.55 -57.71 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 551' ' ' LEU . 3.0 mm? -49.3 -24.27 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 553' ' ' ARG . 6.4 tp10 -81.61 -55.57 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.811 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.7 mtm180 43.91 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 556' ' ' ILE . 20.6 p -73.56 160.74 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.79 -14.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.633 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.619 ' CG2' HD11 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -52.93 -10.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' A' ' 559' ' ' LYS . 47.3 mm-40 -59.46 -17.03 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.399 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 558' ' ' LEU . 0.8 OUTLIER -60.69 2.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.745 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 557' ' ' GLU . 63.4 mttt -124.46 142.18 51.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.91 98.23 5.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 562' ' ' TRP . 17.6 p30 -173.98 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.477 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 6.7 p-90 -67.59 -34.38 76.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 563' ' ' VAL . 7.2 t -46.35 -31.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -56.02 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.53 -37.53 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' A' ' 550' ' ' PHE . 29.5 tp -59.27 -44.5 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.08 -55.43 29.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 8.8 mp -49.39 -44.09 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.43 46.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.45 -16.54 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.77 -44.06 7.99 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.0 mt -81.99 -30.46 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.0 tp -47.13 -36.73 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 576' ' ' GLY . 9.7 m-85 -105.28 29.72 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 574' ' ' TYR . 9.1 ptp 32.04 34.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 86.33 -73.63 2.49 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -101.72 155.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.52 127.11 1.16 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 3.1 mp0 -46.79 -20.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.491 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -55.85 -45.02 78.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.38 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.65 -49.04 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 -38.87 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.64 -44.15 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.613 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.29 -61.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 69.7 mt -46.83 -45.73 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -48.62 77.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.2 mt -57.75 -42.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.305 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.7 p -68.04 -32.79 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -53.37 -58.28 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 592' ' ' GLU . 89.6 mt -84.43 153.84 3.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 591' ' ' ILE . 23.8 mt-10 -75.45 112.29 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.714 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -137.32 87.19 18.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.311 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.51 -8.77 24.37 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.377 2.051 . . . . 0.0 111.889 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 6.1 ttt -97.49 -63.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.329 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 598' ' ' ALA . 4.2 m -51.8 -24.02 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 34.5 t -44.04 -22.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -68.06 -53.85 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.87 -25.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.43 -52.75 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.9 -33.6 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -68.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.4 t -56.01 -21.07 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -78.22 -56.44 3.71 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.6 m -51.32 -35.91 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.43 91.8 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -162.25 -172.05 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -56.6 132.72 52.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 610' ' ' GLY . 0.2 OUTLIER -156.48 -153.44 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.56 ' H ' HG22 ' A' ' 609' ' ' THR . . . 77.79 32.7 44.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 45.7 p -84.9 25.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.773 0 CA-C-O 118.028 -1.429 . . . . 0.0 110.931 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 64.2 p -44.99 114.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -55.19 132.19 47.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.8 tt -45.76 -24.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 489' ' ' ALA . 68.4 p -43.58 -59.16 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 60.6 p -40.74 -47.31 2.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.88 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 486' ' ' SER . . . -68.67 -49.4 59.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.631 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.623 ' N ' HD12 ' A' ' 490' ' ' ILE . 1.8 mp -55.2 -57.16 8.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.466 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.87 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -40.88 -81.14 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.3 tp -45.36 -17.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.203 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.46 -89.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 498' ' ' ALA . 14.4 tt -48.52 -8.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -73.93 -37.65 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.453 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -50.98 -10.84 0.08 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.862 173.211 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 495' ' ' ILE . . . -84.12 -4.21 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.17 -54.98 6.81 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.759 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -137.15 -67.55 0.49 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.227 1.013 . . . . 0.0 112.726 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 10.9 tmtt? -120.83 -28.24 4.88 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.628 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.672 ' ND2' ' CZ ' ' A' ' 534' ' ' PHE . 0.0 OUTLIER 94.14 2.46 0.06 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.578 0.549 . . . . 0.0 110.654 -179.291 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -78.36 -23.52 46.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.753 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.91 -49.84 66.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 110.114 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.7 t -64.78 -24.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.904 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.19 -53.81 10.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.176 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -54.25 -23.81 27.05 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.12 -51.75 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.998 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 530' ' ' LEU . 6.0 mt -58.98 -46.12 88.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.2 mm? -47.48 -66.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.9 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 507' ' ' GLY . 2.9 Cg_endo -46.93 -37.86 22.68 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.065 1.843 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.1 mt -80.22 -23.15 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.447 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.71 -16.46 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.89 -0.72 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 517' ' ' ASP . 39.9 t -115.54 62.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.403 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 t -49.59 -10.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 515' ' ' SER . 48.3 t0 -39.1 -39.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.58 154.97 65.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.051 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.69 127.86 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.469 2.113 . . . . 0.0 111.804 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.466 HD11 ' H ' ' A' ' 554' ' ' THR . 46.0 mt -59.24 -28.05 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -45.97 -43.04 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 26.1 m -66.85 -37.4 84.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.311 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.25 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.641 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 58.3 mtp -56.2 -38.87 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.72 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 67.6 m -65.19 -54.42 29.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -48.63 -41.29 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.45 80.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.493 ' CD1' HD13 ' A' ' 509' ' ' LEU . 2.9 mt -69.23 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -50.28 -31.46 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.431 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.4 OUTLIER -65.47 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.43 -17.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.847 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.672 ' CZ ' ' ND2' ' A' ' 502' ' ' ASN . 6.7 m-85 -97.27 -0.82 45.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 532' ' ' HIS . 9.9 p -50.09 -11.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.16 -60.81 0.95 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 0.0 OUTLIER -103.03 176.63 5.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.632 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.504 ' N ' ' OG1' ' A' ' 537' ' ' THR . 30.2 p -131.15 153.69 49.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.525 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 54.3 t-20 -148.58 134.58 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.17 -21.55 77.14 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.525 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 46.4 m-20 -53.58 -49.52 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.84 -35.99 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.4 m -67.49 -19.0 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.257 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 3.3 m -77.02 -49.76 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 12.4 p -69.65 -30.87 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.065 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 547' ' ' MET . 4.3 mt -73.85 -58.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 546' ' ' ILE . 0.2 OUTLIER -55.66 -29.83 59.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.43 -47.43 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.28 -25.91 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.551 ' CE1' HD21 ' A' ' 566' ' ' LEU . 1.4 m-85 -65.63 -55.02 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.488 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.1 -36.75 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 553' ' ' ARG . 1.9 tp10 -78.29 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 39.74 95.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 555' ' ' ALA . 11.4 m -68.4 167.17 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.523 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.534 ' N ' HG22 ' A' ' 554' ' ' THR . . . -53.32 -7.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 556' ' ' ILE . 0.9 OUTLIER -60.3 -1.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 559' ' ' LYS . 10.9 pt-20 -70.79 -16.71 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.354 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -47.06 -10.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.025 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 557' ' ' GLU . 58.9 mttm -94.27 138.66 32.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.399 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.8 m -104.21 -17.2 14.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.5 -9.72 46.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -81.77 -46.9 13.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.62 -31.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -59.92 -55.81 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.12 -56.77 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.449 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 550' ' ' PHE . 34.1 tp -46.79 -47.35 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.78 -42.44 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.19 -64.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.495 HD11 ' CE1' ' A' ' 550' ' ' PHE . 5.2 mt -43.49 -17.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -84.16 -40.15 8.77 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 569' ' ' ALA . 96.3 mt -65.53 -35.76 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.7 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 -55.32 23.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 12.8 m-85 -99.43 2.89 45.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 571' ' ' GLY . 9.5 ttp 43.5 26.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 67.18 48.9 56.73 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -172.52 133.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.633 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 125.63 103.46 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.637 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 20.7 mp0 -42.72 -20.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 578' ' ' GLY . 55.3 tp60 -55.46 -37.99 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 4.8 p -66.78 -42.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.535 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.0 OUTLIER -49.84 -38.25 34.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.991 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.11 -43.41 78.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 86.8 t -54.72 -34.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.355 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.69 -48.21 64.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.204 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -47.63 -31.75 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 33.6 m -73.85 -52.96 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.43 -23.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.7 t -77.7 -49.05 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.33 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.5 mp -76.86 128.9 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.483 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 3.2 pt-20 -59.15 97.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 1.8 m-70 -137.14 81.85 31.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.19 -21.87 19.78 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.616 2.21 . . . . 0.0 111.585 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.4 mtm -75.71 -49.13 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 p -79.01 -23.6 44.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 13.3 t -43.97 -32.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.53 78.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.161 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.19 -39.91 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.366 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 4.8 tm-20 -49.96 -34.54 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.21 -54.94 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 9.7 mp -49.2 -43.42 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.62 -24.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.49 -36.9 58.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.0 m -81.03 -58.46 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 31.9 t -74.77 87.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -163.91 -113.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 124.06 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.354 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 72.6 p -59.43 122.46 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 611' ' ' THR . . . 165.32 15.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 610' ' ' GLY . 17.4 p 55.54 162.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.584 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.006 -1.441 . . . . 0.0 110.939 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.4 p -138.18 -104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 486' ' ' SER . 52.4 mttm -79.71 -119.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 5.1 mp 47.94 -87.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 484' ' ' LYS . 86.8 p -53.0 -53.37 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 9.2 p -58.53 -36.08 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.62 -49.0 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.2 mm -56.5 -55.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.25 -41.62 93.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.246 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -47.98 -83.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 2.4 pp -44.29 -20.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.417 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.636 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -58.47 -93.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.7 tt -45.67 -9.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.59 ' N ' ' O ' ' A' ' 494' ' ' GLY . . . -74.55 -32.92 62.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.511 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -51.73 -9.2 0.08 Allowed 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.785 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -83.59 -4.08 58.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.19 -54.54 7.1 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.715 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 78.1 p -136.7 -67.6 0.5 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.181 0.99 . . . . 0.0 112.749 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER -120.91 -28.85 4.73 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.76 -179.057 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 3.0 p-10 92.86 7.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.625 0.578 . . . . 0.0 110.511 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -37.23 44.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 504' ' ' GLU . 1.3 mp0 -51.95 -59.61 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 -39.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.85 -28.37 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.07 -27.04 58.93 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.7 -46.36 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.071 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 513' ' ' ALA . 8.1 mp -61.38 -48.38 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.6 mm? -45.39 -66.41 0.5 Allowed Pre-proline 0 C--N 1.329 -0.312 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.661 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -47.09 -47.02 17.77 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.132 1.888 . . . . 0.0 111.77 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.89 -22.05 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.51 -31.89 37.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.95 35.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 517' ' ' ASP . 53.0 p -138.02 73.65 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 35.9 p -49.56 -10.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 515' ' ' SER . 9.3 m-20 -38.96 -54.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.1 OUTLIER -83.56 152.73 64.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.24 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.14 153.85 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.444 2.096 . . . . 0.0 111.785 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 556' ' ' ILE . 24.6 pt -71.18 -14.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.63 -41.58 99.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.578 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.1 p -69.08 -55.77 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.31 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -67.33 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.9 mmt -48.86 -41.18 32.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.44 92.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.343 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.9 m -60.92 -45.69 93.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.99 -58.26 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.196 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.29 -34.48 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -58.6 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -57.15 -23.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.542 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 535' ' ' VAL . 34.4 t-80 -67.5 -51.94 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 497' ' ' PHE . 4.1 p -79.46 -29.34 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.04 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.467 ' CD1' ' ND2' ' A' ' 502' ' ' ASN . 0.8 OUTLIER -86.0 0.42 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.526 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.3 p -49.48 -14.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 110.265 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -97.82 -53.46 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 534' ' ' PHE . 19.2 p -87.78 177.36 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 0.0 110.333 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.4 t -149.48 156.82 42.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -162.48 144.67 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.14 -41.38 97.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -45.39 -55.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.6 mt -45.34 -46.89 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.1 m -64.34 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.1 m -63.17 -52.8 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -35.38 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.01 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.56 -50.14 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.46 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -50.36 -35.32 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -57.91 -46.35 85.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.44 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.59 -47.42 82.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 553' ' ' ARG . 29.6 tp10 -58.45 -56.06 26.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.777 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 552' ' ' GLU . 43.4 ttp180 30.48 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 556' ' ' ILE . 18.0 p -80.25 155.73 27.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.42 -7.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.422 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.09 -8.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 559' ' ' LYS . 9.4 mm-40 -60.07 -17.48 39.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.234 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -60.42 1.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.819 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 557' ' ' GLU . 23.1 ttmt -65.61 -137.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 72.5 p -101.77 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.99 69.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -67.83 -22.95 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.7 p -48.84 -21.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.654 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -66.7 -55.95 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.707 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -56.55 -36.81 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.5 HD21 ' CE2' ' A' ' 550' ' ' PHE . 46.9 tp -66.74 -26.64 67.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.71 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.3 -28.94 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -73.28 -56.22 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.99 -19.62 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.38 -56.11 3.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.82 -22.02 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.669 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.46 -58.51 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 576' ' ' GLY . 40.0 m-85 -78.98 -30.95 44.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 25.0 ttp 61.01 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -73.04 75.06 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -49.08 136.86 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.67 -147.85 6.35 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.7 -26.57 57.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.626 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -55.82 -50.25 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.42 -51.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -45.42 -36.72 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.77 -41.25 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.62 -56.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.5 mp -55.23 -45.38 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -51.26 -36.41 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.4 m -75.13 -47.8 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.39 -38.05 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.7 t -76.95 -20.54 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -67.51 -59.96 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 22.1 pt -76.97 167.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.59 91.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.679 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.98 78.98 58.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.188 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 597' ' ' SER . 3.3 Cg_exo -74.08 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.77 2.313 . . . . 0.0 112.067 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.418 ' C ' ' N ' ' A' ' 597' ' ' SER . 12.7 tpt -44.08 -52.86 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.617 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 598' ' ' ALA . 3.0 m -43.58 -23.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 595' ' ' MET . 42.6 p -43.68 -22.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 596' ' ' THR . . . -65.43 -40.91 93.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 92.4 mt -77.8 -28.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.422 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -58.34 -49.4 77.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.39 -31.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.39 -70.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.39 -42.9 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -53.41 -65.5 3.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 17.4 t -49.21 -46.12 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.38 88.33 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -130.41 -166.87 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.47 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 611' ' ' THR . 5.4 p -72.79 -54.03 9.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 74.81 -14.8 4.25 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 609' ' ' THR . 6.4 p -146.35 -154.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.821 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.975 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.441 ' H ' HG23 ' A' ' 483' ' ' THR . 1.3 p -71.75 151.14 43.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -66.29 102.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.422 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.46 -16.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.67 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 71.7 p -58.27 -40.55 82.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' SER . . . . . 0.417 ' O ' HD13 ' A' ' 491' ' ' LEU . 60.1 p -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.678 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.56 45.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.65 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.538 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.54 -31.47 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 487' ' ' SER . 0.7 OUTLIER -62.81 -73.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.279 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.22 -40.44 7.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.496 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.4 mp -65.89 -45.34 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.15 -43.92 73.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.6 pt -83.88 -4.81 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.64 -44.52 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 0.3 OUTLIER -58.28 -43.9 88.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -48.3 -5.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.89 -53.63 7.26 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.838 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.1 m -136.07 -67.04 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.674 0.737 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 -28.96 4.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.489 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.625 HD22 ' CG1' ' A' ' 533' ' ' VAL . 0.1 OUTLIER 72.69 17.64 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.102 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 504' ' ' GLU . 3.4 p30 -78.29 -54.46 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.505 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 503' ' ' ASP . 44.3 tt0 -46.02 -58.8 3.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.071 0.462 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.562 HG13 HD23 ' A' ' 509' ' ' LEU . 1.0 OUTLIER -54.99 -24.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.23 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 534' ' ' PHE . 0.2 OUTLIER -61.62 -53.14 60.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.418 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.418 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -62.05 -23.88 64.36 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.68 -37.4 18.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.019 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' A' ' 526' ' ' ALA . 0.3 OUTLIER -64.04 -50.19 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.331 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 3.6 mp -45.75 -65.56 0.64 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.713 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.66 -40.23 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.206 1.937 . . . . 0.0 111.59 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.69 -21.44 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.51 -15.56 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.784 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.82 0.4 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.2 t 41.71 58.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.4 p -65.77 -37.77 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -146.73 9.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 519' ' ' PRO . 0.1 OUTLIER -109.8 177.56 1.21 Allowed Pre-proline 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 518' ' ' LEU . 3.0 Cg_exo -77.37 153.25 31.02 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.625 2.217 . . . . 0.0 111.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.1 pt -72.37 -27.49 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.97 -63.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 11.9 m -50.71 -38.11 45.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.75 63.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.06 -52.01 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.507 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 5.0 mmt -54.2 -40.88 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 509' ' ' LEU . . . -71.21 -35.32 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.402 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 36.3 t -67.39 -44.26 79.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.5 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.4 -51.86 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.34 -31.62 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.494 HD21 ' CD2' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -63.72 -50.64 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.43 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.424 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 4.4 m-70 -58.25 -37.3 74.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 502' ' ' ASN . 91.0 t -75.17 -65.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.748 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.733 ' CE1' HD23 ' A' ' 506' ' ' LEU . 3.5 m-85 -61.68 0.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.3 p -49.53 -17.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.128 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -101.43 -42.84 2.27 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 534' ' ' PHE . 17.4 p -90.35 177.22 6.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 94.5 m -130.75 155.61 46.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 0.2 OUTLIER -176.75 118.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.137 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.74 -31.84 62.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -46.17 -42.92 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.54 -28.66 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.8 m -79.12 -30.49 43.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 42.3 p -60.45 -53.29 59.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 5.7 t -61.84 -50.4 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.056 0.455 . . . . 0.0 109.862 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.41 -34.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.09 -31.56 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.286 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.56 -36.62 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.328 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.5 -47.09 43.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.266 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' A' ' 566' ' ' LEU . 5.7 m-85 -47.45 -31.42 4.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.93 -36.88 30.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 553' ' ' ARG . 21.2 tt0 -63.1 -55.93 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 552' ' ' GLU . 13.4 mmm180 27.95 81.31 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.455 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.606 ' C ' ' H ' ' A' ' 556' ' ' ILE . 1.0 OUTLIER -91.28 148.03 22.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.26 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -55.62 -1.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.481 . . . . 0.0 110.177 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.606 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -69.3 -21.0 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.401 ' CB ' ' HE1' ' A' ' 562' ' ' TRP . 0.1 OUTLIER -72.16 -23.39 61.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.034 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 558' ' ' LEU . 4.3 mm? -47.53 -37.76 12.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.377 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -55.08 -63.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 75.4 p -93.0 -160.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -140.69 39.9 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.416 ' CE3' HD13 ' A' ' 566' ' ' LEU . 1.2 p-90 -53.86 -25.51 20.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.2 p -47.21 -39.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.704 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 563' ' ' VAL . 14.7 mmt180 -62.22 -56.01 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -59.78 -21.45 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.682 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.416 HD13 ' CE3' ' A' ' 562' ' ' TRP . 0.9 OUTLIER -77.62 -22.93 50.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.53 19.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.75 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 568' ' ' LEU . 3.9 mm? -71.19 -27.84 63.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.662 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -75.98 -44.45 39.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 11.7 tp -77.51 -20.81 53.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -80.72 -45.85 7.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 tt -72.4 -23.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.6 -38.85 47.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.552 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -102.8 30.7 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 575' ' ' MET . 2.0 tmt? -83.05 124.42 30.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 111.61 -40.45 2.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.31 167.3 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -144.43 -57.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.93 -39.07 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.279 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.73 -39.67 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.6 -55.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.456 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 28.7 m-20 -45.09 -37.57 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -65.68 -44.37 86.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.456 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.2 -57.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.75 -38.57 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -56.96 -32.0 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.396 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.9 m -81.21 -55.0 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 80.8 mt -52.07 -31.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -72.99 -46.1 54.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.53 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 592' ' ' GLU . 14.2 mm -70.05 165.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 591' ' ' ILE . 26.7 mt-10 -41.33 130.28 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 6.1 p80 -137.37 75.74 44.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.769 2.313 . . . . 0.0 111.94 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -96.48 -32.86 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 71.1 p -50.02 -24.36 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 11.5 t -48.94 -45.53 41.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -45.07 -33.61 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.5 -44.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.435 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.3 OUTLIER -50.51 -63.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.02 -48.43 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.36 -42.92 13.86 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 607' ' ' ALA . 20.4 t -72.18 -33.11 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.683 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.73 15.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 605' ' ' SER . . . -79.14 178.3 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.53 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 609' ' ' THR . 31.2 p90 -81.96 -48.59 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.571 ' N ' ' CG ' ' A' ' 608' ' ' TYR . 4.5 t -55.21 138.2 45.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -85.58 -133.12 2.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 18.6 m -86.96 -48.51 8.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.542 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 117.946 -1.474 . . . . 0.0 110.908 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 17.0 m 56.44 97.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -55.24 160.17 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 1.3 pt -62.72 -9.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.344 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.7 t -54.07 -34.51 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 11.8 t -50.58 -67.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.21 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.08 74.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 494' ' ' GLY . 5.1 mm -64.75 -36.81 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.98 -60.45 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.78 -48.7 36.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.0 mp -72.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -70.13 -39.22 72.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 59.6 mt -88.92 -38.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 110.758 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -67.27 -32.12 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 1.3 m-85 -50.1 -7.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -48.99 -36.88 18.66 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.559 ' O ' ' ND2' ' A' ' 502' ' ' ASN . . . -87.8 -8.06 73.68 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.652 ' HB3' HG11 ' A' ' 533' ' ' VAL . 24.8 t -46.22 -13.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.0 OUTLIER -75.21 33.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.071 0.463 . . . . 0.0 110.186 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 499' ' ' GLY . 2.3 m-80 -109.31 164.01 12.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.171 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -78.19 -12.77 60.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.613 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.94 -58.22 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.504 HG11 ' OG ' ' A' ' 500' ' ' SER . 13.1 t -58.41 -35.81 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.261 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.539 HD13 ' CZ ' ' A' ' 534' ' ' PHE . 22.1 tp -66.53 -52.37 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.453 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -67.36 -20.51 71.56 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.3 tp -87.38 -58.06 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.006 0.432 . . . . 0.0 111.232 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 530' ' ' LEU . 1.5 tp -58.26 -28.13 64.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mp -59.56 -65.77 1.86 Allowed Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.946 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -48.26 -29.47 13.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.922 1.748 . . . . 0.0 111.154 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 57.6 mt -86.74 -26.54 6.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.475 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.38 -10.55 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' A' ' 549' ' ' ASN . . . -81.53 3.81 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.3 t 38.96 78.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 37.4 p -80.61 -38.45 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.609 ' H ' HD23 ' A' ' 518' ' ' LEU . 16.1 m-20 -161.67 37.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -138.24 150.27 66.25 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.178 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.28 143.31 8.02 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.502 2.135 . . . . 0.0 111.929 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.602 HD11 ' H ' ' A' ' 554' ' ' THR . 90.4 mt -73.49 -23.96 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.306 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.5 -44.92 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 60.9 p -72.82 -55.61 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.2 -21.23 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -68.88 -63.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.9 mtt -54.97 -37.18 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.77 94.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.5 m -52.76 -57.87 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.18 -46.14 62.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -53.65 -35.48 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 509' ' ' LEU . 0.2 OUTLIER -65.75 -30.05 70.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.08 -43.52 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 17.4 t-80 -56.8 -33.5 66.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.652 HG11 ' HB3' ' A' ' 500' ' ' SER . 41.3 t -80.67 -49.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.245 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 506' ' ' LEU . 18.0 m-85 -77.94 0.47 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -49.98 -10.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -94.37 -41.74 4.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 534' ' ' PHE . 13.0 t -133.21 154.37 50.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 67.2 m -103.63 164.14 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 110.657 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 10.3 t-20 -155.27 140.27 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.48 65.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 544' ' ' THR . 7.3 m-20 -45.99 -57.98 3.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.341 . . . . 0.0 110.754 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.64 -27.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 3.9 m -81.24 -35.04 31.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -55.19 -34.81 64.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.7 m -83.39 -59.9 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.71 -45.02 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.27 -44.52 83.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.616 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -48.41 -41.15 28.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.296 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 513' ' ' ALA . 54.0 m-20 -66.63 -52.62 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.389 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.19 -31.33 0.37 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.9 mp -87.02 -41.24 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.56 -55.34 18.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 47.95 91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.602 ' H ' HD11 ' A' ' 520' ' ' ILE . 10.1 m -59.31 162.88 4.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -45.27 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.708 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.36 -5.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 555' ' ' ALA . 7.9 pt-20 -57.32 -16.76 9.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.228 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -71.1 1.68 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.816 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -113.75 167.29 10.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.224 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.4 m -154.38 89.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -173.54 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.485 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -62.37 -26.95 68.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.4 p -48.94 -21.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -69.94 -44.5 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.33 -59.33 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.6 -45.69 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.24 -57.77 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.135 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -48.26 -45.14 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.31 -17.11 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.22 -57.53 2.35 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 572' ' ' ILE . 1.8 mp -64.02 -37.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 50.5 tp -44.15 -54.38 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 576' ' ' GLY . 7.5 m-85 -88.21 -18.96 27.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 11.4 ttt 60.38 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 164.58 68.43 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -74.31 -94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -165.01 -126.0 0.8 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -45.86 -21.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.02 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 92.3 t -58.24 -53.54 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.34 -42.15 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.07 -45.95 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.549 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 49.0 t -56.99 -61.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.8 mp -46.13 -48.77 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' A' ' 586' ' ' GLU . 1.6 tm-20 -46.61 -39.04 10.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.373 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 11.1 m -68.32 -44.26 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.3 mt -66.09 -30.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.8 p -79.42 -14.7 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -79.18 -57.69 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.2 pt -73.59 -170.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.665 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -69.76 130.16 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 8.4 p80 -137.16 76.41 44.77 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -74.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.746 2.298 . . . . 0.0 111.914 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 10.5 ptp -91.52 -18.63 23.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.502 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 85.2 m -54.91 -24.67 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.1 m -45.4 -26.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.89 73.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 599' ' ' ILE . 4.6 mp -73.24 -29.81 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.73 -36.57 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.59 -64.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.68 -52.77 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.86 -56.76 7.32 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m -60.81 -22.57 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.0 t -99.64 80.93 2.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -163.21 -111.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 101.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 7.7 m -153.38 130.13 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -158.48 -173.1 26.45 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.65 -44.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.8 0 CA-C-O 117.976 -1.458 . . . . 0.0 110.92 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.11 111.17 4.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -134.85 53.07 2.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.3 mm -62.66 -25.42 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.3 p -57.07 -33.56 67.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 54.0 m -61.1 -50.24 74.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.54 71.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.04 -47.61 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.6 mm -61.46 -33.82 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.2 tp -68.47 -67.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.62 -36.39 8.07 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.456 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 4.6 tp -86.65 -14.95 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -78.78 -7.55 88.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.22 -23.78 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.811 0.338 . . . . 0.0 110.387 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.622 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -79.94 -57.85 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -57.7 6.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.622 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.99 -15.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.658 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.665 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -52.22 -1.98 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 498' ' ' ALA . 0.9 OUTLIER -37.32 -16.72 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.477 0.179 . . . . 0.0 111.391 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -75.91 26.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 504' ' ' GLU . 52.5 m-20 -143.28 121.02 11.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.082 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -51.11 -5.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 502' ' ' ASN . 28.4 tt0 -81.7 -44.98 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 110.574 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.24 -62.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 510' ' ' LEU . 2.0 pp -65.15 -22.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.6 96.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.82 -40.14 15.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.3 -24.52 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 506' ' ' LEU . 1.7 mp -68.65 -66.33 1.06 Allowed Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.642 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -45.5 -30.06 5.54 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.139 1.892 . . . . 0.0 111.259 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.53 -40.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -84.76 -11.01 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.772 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -82.11 13.18 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 54.4 p 40.96 63.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.656 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.9 p -77.34 -31.02 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -170.61 44.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.65 151.56 28.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.33 145.6 2.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.447 2.098 . . . . 0.0 111.736 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 523' ' ' ALA . 19.7 mt -73.5 -30.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.48 ' O ' ' SD ' ' A' ' 525' ' ' MET . 41.7 mt-10 -41.31 -32.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 67.5 p -85.29 -34.7 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -67.63 -40.1 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.23 83.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.3 mpt? -71.11 -46.08 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.64 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.644 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.6 m -76.39 -44.62 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.64 -51.2 69.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.75 80.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.7 OUTLIER -63.06 -22.39 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -83.5 -39.04 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -79.64 -16.15 56.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.997 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.461 HG21 ' CE1' ' A' ' 497' ' ' PHE . 0.6 OUTLIER -88.55 -34.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.445 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.55 -0.26 46.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -49.97 -18.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.499 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.81 -62.73 2.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.8 p -96.14 177.02 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 40.8 t -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 8.1 t-20 -172.16 124.96 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.73 -34.07 35.93 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 30.1 t0 -43.76 -37.93 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.617 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.97 -40.71 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.5 m -67.5 -32.17 72.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.6 m -62.24 -38.89 90.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.44 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.369 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -41.38 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 14.8 ttm -70.4 -35.12 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.82 -58.46 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.285 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -56.56 -41.0 76.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.316 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -56.25 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 12.7 mt -48.03 -30.16 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 553' ' ' ARG . 41.7 mt-10 -83.25 -56.23 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.676 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 552' ' ' GLU . 54.1 ttp180 30.28 75.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.26 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 556' ' ' ILE . 7.8 p -69.41 158.33 35.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -42.27 -18.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.107 0.48 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.57 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -52.35 -10.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.957 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 559' ' ' LYS . 1.0 OUTLIER -73.0 -16.63 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.7 pt? -43.05 -16.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 557' ' ' GLU . 8.3 ttpp -75.06 137.29 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 562' ' ' TRP . 52.8 p -82.72 174.98 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 8.8 t70 61.95 2.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.832 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 560' ' ' THR . 74.2 t90 -81.17 -49.87 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.81 -28.44 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -62.95 -55.88 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -60.57 -45.39 94.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.84 -32.83 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.29 -53.45 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.0 mp -54.56 -44.58 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.56 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.99 -14.21 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.9 -48.49 5.45 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.45 -26.81 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.486 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 tp -67.88 -48.16 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -92.96 23.54 4.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.277 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 5.2 ttt -50.16 125.05 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.475 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 53.11 82.41 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -125.18 -168.24 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 580' ' ' GLN . . . -146.49 -133.99 2.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -47.37 -18.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 578' ' ' GLY . 3.8 tp-100 -57.2 -34.66 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.79 -47.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -50.15 -39.96 45.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.23 -50.1 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.32 -41.14 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.687 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.58 -54.9 36.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -44.37 -55.26 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 45.9 m -52.68 -50.41 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.16 -29.13 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.6 m -82.31 -21.45 36.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.9 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.421 HD12 ' CE1' ' A' ' 593' ' ' HIS . 21.8 pt -64.49 143.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.28 88.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 591' ' ' ILE . 13.5 m80 -137.22 82.83 28.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -72.48 -19.95 24.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.593 2.196 . . . . 0.0 111.848 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.99 -59.5 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 598' ' ' ALA . 51.1 m -47.47 -23.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 14.3 m -43.95 -21.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.616 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -64.96 -38.98 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 57.5 mt -80.12 -26.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -53.56 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.88 -30.81 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.14 -70.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.67 -14.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.58 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.37 -76.41 0.97 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 46.5 m -49.41 -32.02 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.66 48.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.75 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.77 154.53 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.463 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.2 p -119.63 -10.96 9.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 84.28 -170.62 47.1 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 10.0 t -79.85 -172.22 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.64 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.785 0 CA-C-O 117.922 -1.488 . . . . 0.0 110.943 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 483' ' ' THR . 8.1 t -82.52 129.69 34.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -160.79 8.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.457 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.2 -22.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 46.4 t -49.49 -47.68 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.5 t -61.57 -64.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.52 -21.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -71.96 -50.64 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.633 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.8 mm -57.64 -41.68 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 491' ' ' LEU . 10.9 mp -62.18 -67.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.432 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.12 -71.58 0.36 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 1.2 mp -44.63 -41.76 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.75 -65.77 2.66 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.1 pt -65.34 -10.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 111.392 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -69.5 -48.3 61.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 505' ' ' VAL . 0.7 OUTLIER -49.98 -40.76 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.159 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.05 -4.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.223 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.97 -53.74 7.27 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.046 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 90.5 p -136.03 -67.03 0.53 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.915 0.857 . . . . 0.0 112.387 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.67 -29.23 4.74 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.435 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 0.1 OUTLIER 72.95 3.66 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.559 -179.634 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.23 -32.51 49.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -65.7 -47.12 76.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.295 0.569 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 497' ' ' PHE . 2.6 t -56.06 -48.55 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.888 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 530' ' ' LEU . 7.2 tp -54.88 -26.69 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.262 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.35 -44.1 75.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 508' ' ' LEU . 7.9 mp -87.1 -49.53 7.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.899 0.38 . . . . 0.0 111.313 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.49 -27.03 23.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.233 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 8.1 mt -64.66 -66.83 1.25 Allowed Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.37 -31.53 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.171 1.914 . . . . 0.0 111.377 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 58.4 mt -85.83 -30.16 6.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.517 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.97 -10.79 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.0 12.92 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 73.9 m 41.25 73.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.0 p -86.71 -33.81 19.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -158.59 18.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.819 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.84 154.16 80.03 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.176 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.82 149.16 1.22 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.566 2.177 . . . . 0.0 111.897 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 pt -73.53 -18.62 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.89 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 12.3 p -51.04 -43.66 60.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.96 66.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.43 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 59.3 mtt -52.13 -39.13 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.477 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.38 -53.19 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 m -53.52 -38.2 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.34 -46.19 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.1 73.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 533' ' ' VAL . 77.2 mt -57.84 -54.44 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.82 -35.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.61 59.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.486 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 530' ' ' LEU . 94.7 t -84.96 -34.91 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' A' ' 506' ' ' LEU . 28.7 m-85 -90.31 0.08 57.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 535' ' ' VAL . 14.5 p -49.97 -12.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.289 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -111.36 -47.01 0.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 7.9 p -85.2 177.28 7.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.458 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 82.9 m -123.29 167.99 13.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 3.2 m-20 168.81 120.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.194 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -77.26 -31.0 53.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -49.07 -31.83 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.319 . . . . 0.0 110.578 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.19 -44.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.5 m -71.48 -35.32 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.7 m -50.73 -59.04 4.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.42 ' HB3' HD22 ' A' ' 510' ' ' LEU . 60.1 p -62.44 -54.66 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.45 -41.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.052 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.5 tpt -58.66 -55.19 38.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -36.4 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -62.24 -53.08 60.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.58 -47.39 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -71.15 -38.93 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.4 tp10 -72.91 -10.28 59.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -44.61 92.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.8 m -76.95 163.36 26.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.553 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.78 -8.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.18 -3.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -56.84 -23.37 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.262 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.0 OUTLIER -62.06 1.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.641 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 557' ' ' GLU . 36.8 mmtt -73.89 -94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.428 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 60.5 p -116.3 -172.76 2.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -105.86 31.39 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -20.36 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.4 p -44.53 -37.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 563' ' ' VAL . 32.1 mtp85 -58.3 -55.35 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.9 -34.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.43 -38.9 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -74.23 -37.43 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -31.79 73.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.27 -18.35 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.05 -58.66 2.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.5 tt -65.03 -25.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.793 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 tp -46.33 -52.46 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 576' ' ' GLY . 14.1 m-85 -87.08 13.31 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.78 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.434 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -156.64 81.49 0.16 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -146.55 122.95 11.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 582' ' ' ASP . . . -80.25 -36.1 25.05 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.34 -52.01 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -67.58 -48.18 67.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.12 -22.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 578' ' ' GLY . 31.1 t0 -72.48 -45.01 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.81 -43.29 79.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.93 -50.57 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 66.1 mt -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.482 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -44.74 -43.72 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.3 m -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.354 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.18 -37.61 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 23.2 t -51.56 -38.22 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.589 ' HB3' HD12 ' A' ' 591' ' ' ILE . . . -73.35 -41.24 63.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 590' ' ' ALA . 4.4 mp -125.86 112.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 600' ' ' GLU . 12.7 pt-20 -155.76 140.92 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 157.4 58.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.87 -38.34 9.81 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.645 2.23 . . . . 0.0 111.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 595' ' ' MET . 1.2 mpt? -81.97 -40.89 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.2 m -44.53 -30.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.8 t -49.12 -40.93 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.79 77.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 43.6 mt -68.9 -44.14 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.432 ' OE1' ' OE2' ' A' ' 592' ' ' GLU . 51.2 mt-10 -53.15 -40.03 63.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.0 -25.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.2 -69.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.35 -28.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.62 -60.58 8.25 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.4 p -51.26 -35.83 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.1 t -79.27 62.85 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -160.35 165.94 30.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 47.54 43.64 16.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.115 0.483 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 4.5 m -117.21 -11.52 10.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -78.45 74.06 2.14 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 19.5 m -151.3 85.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.761 0 CA-C-O 117.963 -1.465 . . . . 0.0 110.946 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.1 t -128.86 -38.97 1.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 486' ' ' SER . 0.0 OUTLIER 41.67 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.615 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 23.3 pt -56.78 -4.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.535 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 484' ' ' LYS . 38.6 m -58.45 -37.93 76.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.659 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -35.16 79.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.75 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.2 50.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.8 mm -66.69 -21.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -76.73 -71.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.283 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.82 -48.01 24.42 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 496' ' ' ALA . 1.9 tp -74.61 -21.44 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.095 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.71 -48.31 61.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.6 tt -83.86 -30.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 493' ' ' LEU . . . -67.68 -22.93 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.3 OUTLIER -43.4 -32.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.565 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -55.46 -7.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.637 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.19 -3.47 82.27 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 502' ' ' ASN . 4.9 m -44.18 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.712 0.291 . . . . 0.0 110.79 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 499' ' ' GLY . 17.1 mmtp -77.1 32.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.318 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -147.85 155.0 41.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.232 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 -74.31 -4.94 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -78.85 -57.67 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.029 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.4 -62.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.939 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.28 -29.1 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.08 89.91 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 508' ' ' LEU . 10.3 mp -85.81 -27.44 25.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.68 0.276 . . . . 0.0 111.168 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -44.64 95.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.01 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mm? -50.33 -66.26 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.892 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.83 -57.36 2.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.191 1.927 . . . . 0.0 111.779 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -28.53 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.708 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -81.02 -17.27 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.16 12.38 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.8 m 44.12 56.46 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 21.6 p -51.96 -45.99 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.525 ' H ' HD23 ' A' ' 518' ' ' LEU . 0.1 OUTLIER -173.27 26.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -113.42 152.38 45.22 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.333 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.72 147.26 3.17 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.499 2.132 . . . . 0.0 111.85 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.613 HD11 ' H ' ' A' ' 554' ' ' THR . 73.2 mt -63.4 -41.78 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -45.6 -52.12 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 6.7 m -61.58 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.26 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -80.66 -36.72 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.8 tpt -72.67 -47.88 43.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.68 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 31.3 p -56.71 -45.67 81.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -52.41 -48.26 65.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.95 92.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -57.67 -48.45 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.49 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 535' ' ' VAL . 54.0 t60 -69.64 -43.55 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.03 -39.23 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.468 ' C ' ' N ' ' A' ' 536' ' ' GLY . 2.4 m-85 -85.64 0.67 51.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.552 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.7 p -49.84 -12.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.315 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -98.27 -45.53 2.35 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.2 t -97.84 177.2 5.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 537' ' ' THR . 12.3 t -141.93 135.64 29.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -143.91 143.18 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.35 78.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.5 -57.57 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 534' ' ' PHE . 96.4 mt -48.4 -40.58 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.1 m -59.27 -46.82 87.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 7.2 m -56.09 -29.43 60.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 510' ' ' LEU . 0.0 OUTLIER -83.96 -55.57 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 tp -55.67 -32.49 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.606 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -72.43 -49.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.277 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -47.12 -41.59 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.87 -38.25 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.04 -62.87 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 553' ' ' ARG . 5.5 mm-40 -53.73 -56.27 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.734 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.489 HH22 ' CD1' ' A' ' 599' ' ' ILE . 6.8 mtt180 33.59 88.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.613 ' H ' HD11 ' A' ' 520' ' ' ILE . 3.6 m -65.16 161.75 18.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.502 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 557' ' ' GLU . . . -48.69 -10.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.567 ' CG2' HD12 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -53.41 -11.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.381 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 559' ' ' LYS . 11.2 pt-20 -58.03 -16.85 14.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.2 pp -39.56 -28.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 557' ' ' GLU . 26.4 ttmt -88.67 133.8 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.8 t -116.77 34.49 5.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.32 -38.59 3.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.434 ' CZ3' HD22 ' A' ' 566' ' ' LEU . 6.7 p-90 -70.72 -24.94 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.62 -31.06 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.13 -44.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.424 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.62 -49.49 53.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' A' ' 562' ' ' TRP . 10.8 tp -59.29 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -51.35 -33.67 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.93 -49.58 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.18 52.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 570' ' ' LEU . 18.2 tp -70.66 -19.91 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.91 -58.67 2.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 573' ' ' LEU . 18.4 tt -58.45 -47.66 87.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 572' ' ' ILE . 25.9 tp -48.28 -60.6 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 3.7 m-85 -83.3 9.49 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.245 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 28.0 mtt 54.75 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 149.92 38.01 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.23 120.93 3.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 135.41 139.64 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.84 -16.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.95 -37.26 68.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.443 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.34 -37.11 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.62 -42.88 84.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -62.87 -50.9 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.1 -45.37 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.94 -24.8 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.312 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.65 -41.88 62.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 62.2 m -64.86 -50.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.425 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.8 mt -54.24 -49.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 28.6 t -49.55 -49.38 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.21 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.87 83.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.459 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 592' ' ' GLU . 1.1 pp20? -130.1 143.77 50.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 595' ' ' MET . 5.6 m-70 -110.17 156.8 39.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.168 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.79 -18.87 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.612 2.208 . . . . 0.0 111.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 595' ' ' MET . 0.0 OUTLIER -92.85 -50.81 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 13.5 m -58.18 -28.9 65.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.3 m -48.19 -28.79 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.89 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.489 ' CD1' HH22 ' A' ' 553' ' ' ARG . 87.8 mt -68.3 -36.71 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 604' ' ' GLY . 50.7 tt0 -59.02 -45.99 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.5 -59.33 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -51.78 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.24 -30.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -86.83 19.19 30.88 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m -135.03 -57.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.0 49.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -157.48 -129.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.58 86.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 610' ' ' GLY . 0.1 OUTLIER -91.33 -105.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.458 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.515 ' N ' ' OG1' ' A' ' 609' ' ' THR . . . -92.28 -140.36 9.48 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 17.1 p -150.63 103.53 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.961 -1.466 . . . . 0.0 110.88 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 13.6 p -145.05 26.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -145.09 -81.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.1 mt -48.01 -26.75 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.67 -52.21 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 25.1 m -45.73 -42.93 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.3 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.59 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 494' ' ' GLY . 23.7 mm -70.38 -26.55 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tt -65.0 -76.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.127 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.12 -50.17 22.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.8 tp -71.06 -12.03 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.049 0.452 . . . . 0.0 110.021 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -65.02 -48.43 71.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 19.6 tt -87.88 -12.84 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.79 -23.98 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 499' ' ' GLY . 16.6 m-85 -55.26 -5.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.49 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.12 -19.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.609 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -66.16 -2.53 14.11 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 502' ' ' ASN . 0.4 OUTLIER -38.87 -18.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.629 0.252 . . . . 0.0 111.18 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 499' ' ' GLY . 1.3 mptm? -76.56 25.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.0 0.429 . . . . 0.0 109.933 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 499' ' ' GLY . 28.0 p30 -139.7 155.94 47.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.26 -3.9 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.41 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -81.34 -42.02 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.797 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 15.4 t -71.48 -62.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLY . . . . . 0.513 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -76.35 -19.54 78.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.98 -56.85 3.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.67 -35.55 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mm? -58.2 -65.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.047 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.513 ' CD ' ' O ' ' A' ' 507' ' ' GLY . 2.8 Cg_endo -46.93 -59.84 1.1 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.347 2.031 . . . . 0.0 112.26 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 10.9 pt -58.93 -27.7 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.883 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.06 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.83 34.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 517' ' ' ASP . 12.3 t -137.48 77.81 1.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 518' ' ' LEU . 44.8 p -53.1 -10.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 515' ' ' SER . 22.2 m-20 -40.96 -21.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -124.53 155.21 69.46 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.199 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.57 143.51 3.92 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.565 2.177 . . . . 0.0 111.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.5 pt -73.42 -15.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.446 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -53.03 -40.75 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.6 m -82.68 -46.92 12.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.03 79.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.33 9.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.1 tpt -52.54 -48.84 65.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.236 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.93 71.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.4 p -54.12 -46.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.395 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -45.01 -54.5 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.257 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -52.93 -48.68 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -46.32 -48.49 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.27 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -46.02 -28.79 1.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 529' ' ' ALA . 93.8 t -81.87 -69.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.626 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 2.1 m-85 -61.94 0.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.671 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.464 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.0 p -49.74 -27.13 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.429 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.09 -42.96 8.4 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 61.7 p -93.86 177.4 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.48 125.96 17.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -147.38 149.98 33.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.53 -33.96 37.13 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.67 -44.09 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.761 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.57 -56.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.659 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 29.6 m -53.25 -32.61 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 19.8 m -60.34 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -52.85 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 547' ' ' MET . 0.6 OUTLIER -52.8 -51.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.445 ' N ' HG22 ' A' ' 546' ' ' ILE . 3.5 tpt -63.36 -42.4 98.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.59 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.043 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -63.06 -36.65 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -48.81 -40.34 28.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.637 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.02 -59.1 2.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.488 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' ARG . 61.2 tt0 -45.26 -55.77 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 552' ' ' GLU . 51.7 ttp180 36.1 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 556' ' ' ILE . 26.3 p -67.97 145.82 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.459 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -41.95 -21.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 0.0 109.789 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.2 OUTLIER -55.59 -3.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.902 179.363 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 555' ' ' ALA . 1.3 pt-20 -69.56 -16.92 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.317 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.2 pt? -48.55 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.985 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 557' ' ' GLU . 8.1 tttp -93.71 120.16 33.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 561' ' ' ASP . 5.7 t -82.45 -169.36 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 560' ' ' THR . 6.1 t0 84.62 -64.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 559' ' ' LYS . 2.8 p-90 -49.45 -33.01 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.792 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.17 -22.21 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -69.88 -55.79 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.71 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.6 -30.3 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.02 -55.28 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.716 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.33 -38.06 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.88 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 2.4 tp -62.05 -20.89 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -83.98 -52.57 3.6 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 4.9 mm -71.4 -21.95 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.475 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.0 tp -50.45 -59.04 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.443 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 13.0 m-85 -73.22 -3.62 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 52.82 80.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 77.86 -141.62 25.57 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 577' ' ' GLN . 6.0 mp0 -73.68 -173.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 149.65 121.31 1.08 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -41.41 -25.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 578' ' ' GLY . 82.6 mm-40 -55.91 -54.95 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.61 -56.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.69 -39.72 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.63 -44.75 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.83 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.42 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.1 mt -49.76 -41.5 44.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.12 -27.73 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.7 m -77.2 -52.12 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.21 -33.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 40.2 t -74.26 -34.69 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.66 -61.84 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 26.3 pt -72.13 174.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 5.3 mp0 -63.62 131.21 47.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.51 ' ND1' ' OG ' ' A' ' 597' ' ' SER . 3.0 p80 -137.2 75.6 46.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -66.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.774 2.316 . . . . 0.0 111.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 27.7 mtt -94.46 -9.65 34.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.9 m -77.75 -34.29 52.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.51 ' OG ' ' ND1' ' A' ' 593' ' ' HIS . 70.0 m -43.91 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -63.59 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.29 -30.27 45.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -58.62 -61.63 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.44 -23.96 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.9 -55.01 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.33 -49.22 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -47.16 -35.85 9.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.6 t -77.5 -34.04 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 606' ' ' CYS . 43.7 t -79.04 13.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.467 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -156.0 -153.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.83 123.94 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 24.3 m -139.22 152.45 47.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 93.39 -114.87 4.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 77.7 p -137.32 105.81 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.531 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.807 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.915 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.5 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.759 0.314 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.467 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -49.52 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.49 -40.51 31.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.6 -31.17 71.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 109.969 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.33 80.39 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.45 -38.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 0.0 110.422 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.572 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.22 -23.41 54.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -53.87 -1.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.71 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.572 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -56.23 -35.64 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.555 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -83.27 -3.53 90.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.705 ' HB2' HG11 ' A' ' 533' ' ' VAL . 68.5 m -45.1 -12.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 499' ' ' GLY . 56.9 mttp -74.89 33.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.399 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 504' ' ' GLU . 1.4 m-80 -120.0 128.62 53.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.151 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -46.41 -12.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 502' ' ' ASN . 31.4 tt0 -76.87 -55.44 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.235 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.63 -37.57 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 510' ' ' LEU . 6.8 tp -63.92 -30.06 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.66 -27.66 56.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.91 -44.54 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 513' ' ' ALA . 3.6 mm? -61.78 -49.74 75.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -45.34 -66.05 0.55 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.98 -41.32 26.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.136 1.89 . . . . 0.0 111.699 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.35 -21.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -85.35 -18.7 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.11 56.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 26.8 t 44.16 81.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.7 p -73.97 -12.45 60.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.08 -57.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.2 OUTLIER -45.66 149.89 1.02 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.73 139.97 13.21 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.3 2.0 . . . . 0.0 111.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 520' ' ' ILE . 16.8 pt -73.33 -14.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.276 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.68 -55.13 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 22.5 p -61.87 -40.17 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.34 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.04 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.1 mmt -62.78 -49.63 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.44 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 25.8 m -56.76 -32.32 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.9 tt -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.86 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -48.28 -46.9 36.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.296 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.14 -52.31 64.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -42.18 -26.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 500' ' ' SER . 60.0 t -88.82 -59.47 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 536' ' ' GLY . 16.9 m-85 -70.49 0.43 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.6 p -49.96 -13.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -107.25 -35.33 2.72 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 534' ' ' PHE . 33.4 p -99.97 177.24 5.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.0 p -138.81 150.07 45.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 56.1 t-20 -160.78 138.42 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -79.0 -17.28 77.35 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -62.59 -57.79 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -45.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.0 m -56.76 -39.56 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.326 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.3 m -51.78 -55.59 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.1 m -63.49 -43.61 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.85 -26.0 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.488 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 9.3 tpt -76.91 -50.69 12.72 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -51.98 -36.54 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -71.15 -36.38 72.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.511 ' O ' ' NE ' ' A' ' 553' ' ' ARG . 0.2 OUTLIER -54.54 -35.79 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.2 mt -88.95 -28.98 19.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -75.46 -7.37 53.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 550' ' ' PHE . 85.4 mtm180 -40.59 105.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.751 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 556' ' ' ILE . 21.3 p -79.7 166.31 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -40.41 -22.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.307 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -53.89 -7.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.827 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.593 ' C ' ' H ' ' A' ' 559' ' ' LYS . 2.6 pt-20 -65.37 -16.41 63.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.324 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -53.46 -0.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.994 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' A' ' 557' ' ' GLU . 40.2 mmtt -80.89 -168.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.767 0.317 . . . . 0.0 110.254 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 33.0 m -165.23 75.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -173.42 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.545 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -64.55 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.545 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.2 p -65.29 -42.02 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.737 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 563' ' ' VAL . 10.0 ttp180 -60.56 -35.44 76.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.95 -39.6 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.43 -42.8 99.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.81 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.462 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.79 -41.01 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.36 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.87 -27.32 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.67 -29.73 28.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.0 mt -71.41 -33.22 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.86 -27.72 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 28.1 m-85 -118.8 35.05 4.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.641 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.7 ttt -50.88 -32.75 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -90.81 25.91 12.38 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.17 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 166.2 137.09 2.14 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.48 -25.48 6.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -56.04 -44.59 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.96 -41.7 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 582' ' ' ASP . 51.6 t0 -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.428 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.75 -45.35 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.21 -61.08 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.4 mp -50.01 -43.66 50.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.64 -31.89 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -71.39 -40.22 70.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 43.2 mt -60.79 -43.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 33.0 t -63.94 -30.34 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.15 96.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 62.9 mt -98.78 123.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' A' ' 593' ' ' HIS . 3.2 tm-20 -62.61 129.4 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.563 ' O ' ' O ' ' A' ' 594' ' ' PRO . 0.1 OUTLIER -136.95 158.27 73.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.366 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.568 ' C ' ' H ' ' A' ' 596' ' ' THR . 2.5 Cg_endo -47.68 -160.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.943 2.428 . . . . 0.0 112.298 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 597' ' ' SER . 10.7 ptt? -55.83 -0.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.568 ' H ' ' C ' ' A' ' 594' ' ' PRO . 8.3 m -42.52 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 595' ' ' MET . 20.2 m -46.89 -30.45 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.46 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -65.21 -40.98 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.14 -40.92 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.77 -33.81 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -62.97 -67.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.85 -24.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.3 -29.87 71.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 83.6 p -77.84 -39.39 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.682 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.14 85.65 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 494' ' ' GLY . 13.5 mm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.0 tp -49.88 -61.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.22 -67.86 1.96 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -22.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.053 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -61.63 -79.22 0.14 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 23.2 pt -62.24 3.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -79.83 -63.55 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.725 ' CZ ' HG22 ' A' ' 533' ' ' VAL . 25.3 p90 -48.69 -49.24 38.63 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.871 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.71 ' N ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.83 -6.05 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.629 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -47.2 -54.8 9.47 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.538 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.9 t -136.87 -65.34 0.55 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.657 0.729 . . . . 0.0 112.54 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.7 OUTLIER -118.65 -28.01 5.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.333 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 0.4 OUTLIER 85.81 0.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 36.3 p-10 -78.51 -20.04 51.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.99 -56.2 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 110.169 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.34 -27.71 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 510' ' ' LEU . 4.4 tt -64.86 -35.29 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.379 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.471 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -74.63 -25.63 69.5 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 mp -87.09 -44.23 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.5 OUTLIER -62.8 -45.03 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.499 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.0 mm? -48.16 -65.91 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.39 -44.9 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.229 1.953 . . . . 0.0 111.784 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.08 -18.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.01 -36.09 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.648 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.93 2.14 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 517' ' ' ASP . 32.2 m -93.8 61.37 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -12.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 515' ' ' SER . 8.6 t70 -42.6 -31.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.62 151.11 38.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.42 147.05 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.422 2.081 . . . . 0.0 111.746 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.619 HD11 ' CG2' ' A' ' 556' ' ' ILE . 34.8 pt -71.37 -24.7 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -51.26 -32.03 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -51.11 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.89 -26.22 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -59.22 -59.24 5.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.2 mmt -57.23 -56.86 16.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.9 t -64.34 -36.45 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.5 tt -54.17 -55.78 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 532' ' ' HIS . . . -57.19 -49.41 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -41.95 -39.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.361 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.28 73.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.6 OUTLIER -73.5 -15.01 61.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.293 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.725 HG22 ' CZ ' ' A' ' 497' ' ' PHE . 63.2 t -85.3 -57.3 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 1.5 m-85 -77.13 1.05 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.617 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 535' ' ' VAL . 7.8 p -49.28 -12.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.396 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -91.44 -51.88 2.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 55.9 p -99.37 177.11 5.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.531 HD22 ' H ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -165.76 117.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.67 -19.74 79.74 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.531 ' H ' HD22 ' A' ' 539' ' ' ASN . 41.1 t0 -55.52 -42.58 74.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.75 -51.78 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.722 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 5.3 m -54.77 -22.83 15.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 2.8 m -71.29 -51.51 24.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.433 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.405 ' HB3' HD13 ' A' ' 510' ' ' LEU . 5.8 p -65.57 -43.99 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.185 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 547' ' ' MET . 1.7 mt -57.06 -55.01 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.147 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.43 ' N ' HG22 ' A' ' 546' ' ' ILE . 2.6 tpt -58.43 -41.87 86.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.574 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -55.88 -51.28 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.421 HD21 HG22 ' A' ' 520' ' ' ILE . 4.0 t-20 -56.89 -36.63 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.414 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -60.55 -57.71 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 551' ' ' LEU . 3.0 mm? -49.3 -24.27 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 553' ' ' ARG . 6.4 tp10 -81.61 -55.57 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.811 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.7 mtm180 43.91 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 556' ' ' ILE . 20.6 p -73.56 160.74 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.79 -14.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.633 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.619 ' CG2' HD11 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -52.93 -10.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' A' ' 559' ' ' LYS . 47.3 mm-40 -59.46 -17.03 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.399 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 558' ' ' LEU . 0.8 OUTLIER -60.69 2.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.745 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 557' ' ' GLU . 63.4 mttt -124.46 142.18 51.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.91 98.23 5.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 562' ' ' TRP . 17.6 p30 -173.98 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.477 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 6.7 p-90 -67.59 -34.38 76.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 563' ' ' VAL . 7.2 t -46.35 -31.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -56.02 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.53 -37.53 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' A' ' 550' ' ' PHE . 29.5 tp -59.27 -44.5 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.08 -55.43 29.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 8.8 mp -49.39 -44.09 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.43 46.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.45 -16.54 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.77 -44.06 7.99 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.0 mt -81.99 -30.46 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.0 tp -47.13 -36.73 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 576' ' ' GLY . 9.7 m-85 -105.28 29.72 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 574' ' ' TYR . 9.1 ptp 32.04 34.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 86.33 -73.63 2.49 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -101.72 155.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.52 127.11 1.16 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 3.1 mp0 -46.79 -20.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.491 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -55.85 -45.02 78.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.38 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.65 -49.04 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 -38.87 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.64 -44.15 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.613 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.29 -61.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 69.7 mt -46.83 -45.73 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -48.62 77.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.2 mt -57.75 -42.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.305 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.7 p -68.04 -32.79 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -53.37 -58.28 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 592' ' ' GLU . 89.6 mt -84.43 153.84 3.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 591' ' ' ILE . 23.8 mt-10 -75.45 112.29 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.714 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -137.32 87.19 18.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.311 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.51 -8.77 24.37 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.377 2.051 . . . . 0.0 111.889 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 6.1 ttt -97.49 -63.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.329 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 598' ' ' ALA . 4.2 m -51.8 -24.02 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 34.5 t -44.04 -22.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -68.06 -53.85 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.87 -25.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.43 -52.75 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.9 -33.6 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -68.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.4 t -56.01 -21.07 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -78.22 -56.44 3.71 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.6 m -51.32 -35.91 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.43 91.8 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.623 ' N ' HD12 ' A' ' 490' ' ' ILE . 1.8 mp . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.759 0.314 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.87 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -40.88 -81.14 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.3 tp -45.36 -17.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.203 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.46 -89.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 498' ' ' ALA . 14.4 tt -48.52 -8.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -73.93 -37.65 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.453 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -50.98 -10.84 0.08 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.862 173.211 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 495' ' ' ILE . . . -84.12 -4.21 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.17 -54.98 6.81 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.759 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -137.15 -67.55 0.49 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.227 1.013 . . . . 0.0 112.726 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.621 ' O ' ' ND2' ' A' ' 502' ' ' ASN . 10.9 tmtt? -120.83 -28.24 4.88 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.628 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 501' ' ' LYS . 0.6 OUTLIER 94.14 2.46 0.06 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.578 0.549 . . . . 0.0 110.654 -179.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -78.36 -23.52 46.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.753 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.91 -49.84 66.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 110.114 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.7 t -64.78 -24.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.904 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.19 -53.81 10.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.176 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -54.25 -23.81 27.05 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.12 -51.75 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.998 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 530' ' ' LEU . 6.0 mt -58.98 -46.12 88.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.2 mm? -47.48 -66.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.9 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 507' ' ' GLY . 2.9 Cg_endo -46.93 -37.86 22.68 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.065 1.843 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.1 mt -80.22 -23.15 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.447 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.71 -16.46 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.89 -0.72 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 517' ' ' ASP . 39.9 t -115.54 62.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.403 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 t -49.59 -10.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 515' ' ' SER . 48.3 t0 -39.1 -39.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.58 154.97 65.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.051 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.69 127.86 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.469 2.113 . . . . 0.0 111.804 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.466 HD11 ' H ' ' A' ' 554' ' ' THR . 46.0 mt -59.24 -28.05 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -45.97 -43.04 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 26.1 m -66.85 -37.4 84.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.311 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.25 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.641 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 58.3 mtp -56.2 -38.87 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.72 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 67.6 m -65.19 -54.42 29.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -48.63 -41.29 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.45 80.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.493 ' CD1' HD13 ' A' ' 509' ' ' LEU . 2.9 mt -69.23 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -50.28 -31.46 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.431 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.4 OUTLIER -65.47 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.43 -17.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.847 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.527 ' CZ ' ' OD1' ' A' ' 502' ' ' ASN . 6.7 m-85 -97.27 -0.82 45.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 532' ' ' HIS . 9.9 p -50.09 -11.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.16 -60.81 0.95 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 0.0 OUTLIER -103.03 176.63 5.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.632 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.504 ' N ' ' OG1' ' A' ' 537' ' ' THR . 30.2 p -131.15 153.69 49.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.525 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 54.3 t-20 -148.58 134.58 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.17 -21.55 77.14 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.525 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 46.4 m-20 -53.58 -49.52 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.84 -35.99 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.4 m -67.49 -19.0 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.257 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 3.3 m -77.02 -49.76 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 12.4 p -69.65 -30.87 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.065 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 547' ' ' MET . 4.3 mt -73.85 -58.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 546' ' ' ILE . 0.2 OUTLIER -55.66 -29.83 59.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.43 -47.43 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.28 -25.91 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.551 ' CE1' HD21 ' A' ' 566' ' ' LEU . 1.4 m-85 -65.63 -55.02 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.488 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.1 -36.75 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 553' ' ' ARG . 1.9 tp10 -78.29 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 39.74 95.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 555' ' ' ALA . 11.4 m -68.4 167.17 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.523 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.534 ' N ' HG22 ' A' ' 554' ' ' THR . . . -53.32 -7.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 556' ' ' ILE . 0.9 OUTLIER -60.3 -1.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 559' ' ' LYS . 10.9 pt-20 -70.79 -16.71 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.354 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -47.06 -10.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.025 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 557' ' ' GLU . 58.9 mttm -94.27 138.66 32.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.399 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.8 m -104.21 -17.2 14.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.5 -9.72 46.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -81.77 -46.9 13.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.62 -31.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -59.92 -55.81 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.12 -56.77 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.449 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 550' ' ' PHE . 34.1 tp -46.79 -47.35 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.78 -42.44 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.19 -64.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.495 HD11 ' CE1' ' A' ' 550' ' ' PHE . 5.2 mt -43.49 -17.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -84.16 -40.15 8.77 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 569' ' ' ALA . 96.3 mt -65.53 -35.76 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.7 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 -55.32 23.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 12.8 m-85 -99.43 2.89 45.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 571' ' ' GLY . 9.5 ttp 43.5 26.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 67.18 48.9 56.73 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -172.52 133.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.633 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 125.63 103.46 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.637 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 20.7 mp0 -42.72 -20.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 578' ' ' GLY . 55.3 tp60 -55.46 -37.99 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 4.8 p -66.78 -42.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.535 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.0 OUTLIER -49.84 -38.25 34.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.991 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.11 -43.41 78.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 86.8 t -54.72 -34.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.355 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.69 -48.21 64.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.204 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -47.63 -31.75 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 33.6 m -73.85 -52.96 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.43 -23.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.7 t -77.7 -49.05 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.33 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.5 mp -76.86 128.9 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.483 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 3.2 pt-20 -59.15 97.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 1.8 m-70 -137.14 81.85 31.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.19 -21.87 19.78 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.616 2.21 . . . . 0.0 111.585 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.4 mtm -75.71 -49.13 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 p -79.01 -23.6 44.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 13.3 t -43.97 -32.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.53 78.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.161 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.19 -39.91 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.366 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 4.8 tm-20 -49.96 -34.54 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.21 -54.94 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 9.7 mp -49.2 -43.42 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.62 -24.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.49 -36.9 58.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.0 m -81.03 -58.46 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 31.9 t -74.77 87.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.506 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.774 0.321 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.25 -41.62 93.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.246 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -47.98 -83.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 2.4 pp -44.29 -20.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.417 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.636 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -58.47 -93.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.7 tt -45.67 -9.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.59 ' N ' ' O ' ' A' ' 494' ' ' GLY . . . -74.55 -32.92 62.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.511 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -51.73 -9.2 0.08 Allowed 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.785 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -83.59 -4.08 58.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.19 -54.54 7.1 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.715 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 78.1 p -136.7 -67.6 0.5 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.181 0.99 . . . . 0.0 112.749 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER -120.91 -28.85 4.73 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.76 -179.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 3.0 p-10 92.86 7.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.625 0.578 . . . . 0.0 110.511 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -37.23 44.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 504' ' ' GLU . 1.3 mp0 -51.95 -59.61 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 -39.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.85 -28.37 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.07 -27.04 58.93 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.7 -46.36 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.071 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 513' ' ' ALA . 8.1 mp -61.38 -48.38 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.6 mm? -45.39 -66.41 0.5 Allowed Pre-proline 0 C--N 1.329 -0.312 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.661 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -47.09 -47.02 17.77 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.132 1.888 . . . . 0.0 111.77 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.89 -22.05 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.51 -31.89 37.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.95 35.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 517' ' ' ASP . 53.0 p -138.02 73.65 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 35.9 p -49.56 -10.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 515' ' ' SER . 9.3 m-20 -38.96 -54.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.1 OUTLIER -83.56 152.73 64.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.24 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.14 153.85 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.444 2.096 . . . . 0.0 111.785 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 556' ' ' ILE . 24.6 pt -71.18 -14.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.63 -41.58 99.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.578 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.1 p -69.08 -55.77 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.31 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -67.33 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.9 mmt -48.86 -41.18 32.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.44 92.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.343 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.9 m -60.92 -45.69 93.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.99 -58.26 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.196 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.29 -34.48 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -58.6 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -57.15 -23.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.542 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 535' ' ' VAL . 9.6 t60 -67.5 -51.94 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 497' ' ' PHE . 4.1 p -79.46 -29.34 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.04 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.467 ' CD1' ' ND2' ' A' ' 502' ' ' ASN . 0.8 OUTLIER -86.0 0.42 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.526 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.3 p -49.48 -14.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 110.265 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -97.82 -53.46 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 534' ' ' PHE . 19.2 p -87.78 177.36 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 0.0 110.333 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.4 t -149.48 156.82 42.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -162.48 144.67 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.14 -41.38 97.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -45.39 -55.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.6 mt -45.34 -46.89 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.1 m -64.34 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.1 m -63.17 -52.8 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -35.38 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.01 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.56 -50.14 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.46 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -50.36 -35.32 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -57.91 -46.35 85.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.44 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.59 -47.42 82.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 553' ' ' ARG . 29.6 tp10 -58.45 -56.06 26.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.777 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 552' ' ' GLU . 43.4 ttp180 30.48 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 556' ' ' ILE . 18.0 p -80.25 155.73 27.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.42 -7.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.422 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.09 -8.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 559' ' ' LYS . 9.4 mm-40 -60.07 -17.48 39.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.234 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -60.42 1.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.819 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 557' ' ' GLU . 23.1 ttmt -65.61 -137.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 72.5 p -101.77 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.99 69.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -67.83 -22.95 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.7 p -48.84 -21.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.654 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -66.7 -55.95 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.707 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -56.55 -36.81 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.5 HD21 ' CE2' ' A' ' 550' ' ' PHE . 46.9 tp -66.74 -26.64 67.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.71 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.3 -28.94 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -73.28 -56.22 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.99 -19.62 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.38 -56.11 3.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.82 -22.02 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.669 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.46 -58.51 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 576' ' ' GLY . 40.0 m-85 -78.98 -30.95 44.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 25.0 ttp 61.01 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -73.04 75.06 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -49.08 136.86 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.67 -147.85 6.35 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.7 -26.57 57.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.626 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -55.82 -50.25 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.42 -51.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -45.42 -36.72 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.77 -41.25 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.62 -56.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.5 mp -55.23 -45.38 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -51.26 -36.41 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.4 m -75.13 -47.8 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.39 -38.05 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.7 t -76.95 -20.54 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -67.51 -59.96 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 22.1 pt -76.97 167.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.59 91.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.679 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.98 78.98 58.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.188 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 597' ' ' SER . 3.3 Cg_exo -74.08 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.77 2.313 . . . . 0.0 112.067 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.418 ' C ' ' N ' ' A' ' 597' ' ' SER . 12.7 tpt -44.08 -52.86 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.617 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 598' ' ' ALA . 3.0 m -43.58 -23.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 595' ' ' MET . 42.6 p -43.68 -22.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 596' ' ' THR . . . -65.43 -40.91 93.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 92.4 mt -77.8 -28.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.422 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -58.34 -49.4 77.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.39 -31.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.39 -70.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.39 -42.9 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -53.41 -65.5 3.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 17.4 t -49.21 -46.12 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.38 88.33 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -73.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.22 -40.44 7.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.496 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.4 mp -65.89 -45.34 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.15 -43.92 73.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.6 pt -83.88 -4.81 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.64 -44.52 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 0.3 OUTLIER -58.28 -43.9 88.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -48.3 -5.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.89 -53.63 7.26 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.838 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.1 m -136.07 -67.04 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.674 0.737 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 -28.96 4.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.489 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.625 HD22 ' CG1' ' A' ' 533' ' ' VAL . 0.1 OUTLIER 72.69 17.64 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 504' ' ' GLU . 3.4 p30 -78.29 -54.46 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.505 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 503' ' ' ASP . 44.3 tt0 -46.02 -58.8 3.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.071 0.462 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.562 HG13 HD23 ' A' ' 509' ' ' LEU . 1.0 OUTLIER -54.99 -24.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.23 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 534' ' ' PHE . 0.2 OUTLIER -61.62 -53.14 60.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.418 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.418 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -62.05 -23.88 64.36 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.68 -37.4 18.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.019 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' A' ' 526' ' ' ALA . 0.3 OUTLIER -64.04 -50.19 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 3.6 mp -45.75 -65.56 0.64 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.713 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.66 -40.23 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.206 1.937 . . . . 0.0 111.59 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.69 -21.44 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.51 -15.56 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.784 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.82 0.4 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.2 t 41.71 58.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.4 p -65.77 -37.77 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -146.73 9.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 519' ' ' PRO . 0.1 OUTLIER -109.8 177.56 1.21 Allowed Pre-proline 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 518' ' ' LEU . 3.0 Cg_exo -77.37 153.25 31.02 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.625 2.217 . . . . 0.0 111.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.1 pt -72.37 -27.49 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.97 -63.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 11.9 m -50.71 -38.11 45.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.75 63.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.06 -52.01 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.507 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 5.0 mmt -54.2 -40.88 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 509' ' ' LEU . . . -71.21 -35.32 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.402 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 36.3 t -67.39 -44.26 79.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.5 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.4 -51.86 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.34 -31.62 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.494 HD21 ' CD2' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -63.72 -50.64 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.43 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.424 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 4.4 m-70 -58.25 -37.3 74.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 502' ' ' ASN . 91.0 t -75.17 -65.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.748 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.733 ' CE1' HD23 ' A' ' 506' ' ' LEU . 3.5 m-85 -61.68 0.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.3 p -49.53 -17.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.128 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -101.43 -42.84 2.27 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 534' ' ' PHE . 17.4 p -90.35 177.22 6.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 94.5 m -130.75 155.61 46.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 0.2 OUTLIER -176.75 118.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.137 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.74 -31.84 62.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -46.17 -42.92 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.54 -28.66 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.8 m -79.12 -30.49 43.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 42.3 p -60.45 -53.29 59.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 5.7 t -61.84 -50.4 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.056 0.455 . . . . 0.0 109.862 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.41 -34.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.09 -31.56 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.286 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.56 -36.62 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.328 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.5 -47.09 43.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.266 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' A' ' 566' ' ' LEU . 5.7 m-85 -47.45 -31.42 4.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.93 -36.88 30.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 553' ' ' ARG . 21.2 tt0 -63.1 -55.93 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 552' ' ' GLU . 13.4 mmm180 27.95 81.31 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.455 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.606 ' C ' ' H ' ' A' ' 556' ' ' ILE . 1.0 OUTLIER -91.28 148.03 22.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.26 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -55.62 -1.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.481 . . . . 0.0 110.177 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.606 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -69.3 -21.0 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.401 ' CB ' ' HE1' ' A' ' 562' ' ' TRP . 0.1 OUTLIER -72.16 -23.39 61.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.034 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 558' ' ' LEU . 4.3 mm? -47.53 -37.76 12.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.377 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -55.08 -63.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 75.4 p -93.0 -160.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -140.69 39.9 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.416 ' CE3' HD13 ' A' ' 566' ' ' LEU . 1.2 p-90 -53.86 -25.51 20.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.2 p -47.21 -39.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.704 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 563' ' ' VAL . 14.7 mmt180 -62.22 -56.01 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -59.78 -21.45 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.682 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.416 HD13 ' CE3' ' A' ' 562' ' ' TRP . 0.9 OUTLIER -77.62 -22.93 50.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.53 19.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.75 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 568' ' ' LEU . 3.9 mm? -71.19 -27.84 63.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.662 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -75.98 -44.45 39.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 11.7 tp -77.51 -20.81 53.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -80.72 -45.85 7.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 tt -72.4 -23.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.6 -38.85 47.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.552 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -102.8 30.7 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 575' ' ' MET . 2.0 tmt? -83.05 124.42 30.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 111.61 -40.45 2.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.31 167.3 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -144.43 -57.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.93 -39.07 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.279 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.73 -39.67 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.6 -55.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.456 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 28.7 m-20 -45.09 -37.57 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -65.68 -44.37 86.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.456 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.2 -57.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.75 -38.57 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -56.96 -32.0 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.396 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.9 m -81.21 -55.0 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 80.8 mt -52.07 -31.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -72.99 -46.1 54.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.53 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 592' ' ' GLU . 14.2 mm -70.05 165.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 591' ' ' ILE . 26.7 mt-10 -41.33 130.28 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 6.1 p80 -137.37 75.74 44.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.769 2.313 . . . . 0.0 111.94 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -96.48 -32.86 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 71.1 p -50.02 -24.36 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 11.5 t -48.94 -45.53 41.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -45.07 -33.61 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.5 -44.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.435 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.3 OUTLIER -50.51 -63.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.02 -48.43 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.36 -42.92 13.86 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 607' ' ' ALA . 20.4 t -72.18 -33.11 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.683 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.73 15.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 605' ' ' SER . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 494' ' ' GLY . 5.1 mm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.73 0.3 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.98 -60.45 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.78 -48.7 36.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.0 mp -72.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -70.13 -39.22 72.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 59.6 mt -88.92 -38.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 110.758 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -67.27 -32.12 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 1.3 m-85 -50.1 -7.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -48.99 -36.88 18.66 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.8 -8.06 73.68 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.652 ' HB3' HG11 ' A' ' 533' ' ' VAL . 24.8 t -46.22 -13.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.0 OUTLIER -75.21 33.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.071 0.463 . . . . 0.0 110.186 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 500' ' ' SER . 4.4 m120 -109.31 164.01 12.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.171 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -78.19 -12.77 60.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.613 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.94 -58.22 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.504 HG11 ' OG ' ' A' ' 500' ' ' SER . 13.1 t -58.41 -35.81 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.261 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.539 HD13 ' CZ ' ' A' ' 534' ' ' PHE . 22.1 tp -66.53 -52.37 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.453 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -67.36 -20.51 71.56 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.3 tp -87.38 -58.06 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.006 0.432 . . . . 0.0 111.232 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 530' ' ' LEU . 1.5 tp -58.26 -28.13 64.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mp -59.56 -65.77 1.86 Allowed Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.946 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -48.26 -29.47 13.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.922 1.748 . . . . 0.0 111.154 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 57.6 mt -86.74 -26.54 6.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.475 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.38 -10.55 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' A' ' 549' ' ' ASN . . . -81.53 3.81 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.3 t 38.96 78.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 37.4 p -80.61 -38.45 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.609 ' H ' HD23 ' A' ' 518' ' ' LEU . 16.1 m-20 -161.67 37.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -138.24 150.27 66.25 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.178 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.28 143.31 8.02 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.502 2.135 . . . . 0.0 111.929 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.602 HD11 ' H ' ' A' ' 554' ' ' THR . 90.4 mt -73.49 -23.96 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.306 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.5 -44.92 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 60.9 p -72.82 -55.61 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.2 -21.23 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -68.88 -63.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.9 mtt -54.97 -37.18 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.77 94.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.5 m -52.76 -57.87 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.18 -46.14 62.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -53.65 -35.48 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 509' ' ' LEU . 0.2 OUTLIER -65.75 -30.05 70.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.08 -43.52 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 17.4 t-80 -56.8 -33.5 66.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.652 HG11 ' HB3' ' A' ' 500' ' ' SER . 41.3 t -80.67 -49.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.245 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 506' ' ' LEU . 18.0 m-85 -77.94 0.47 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -49.98 -10.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -94.37 -41.74 4.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 534' ' ' PHE . 13.0 t -133.21 154.37 50.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 67.2 m -103.63 164.14 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 110.657 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 10.3 t-20 -155.27 140.27 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.48 65.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 544' ' ' THR . 7.3 m-20 -45.99 -57.98 3.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.341 . . . . 0.0 110.754 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.64 -27.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 3.9 m -81.24 -35.04 31.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -55.19 -34.81 64.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.7 m -83.39 -59.9 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.71 -45.02 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.27 -44.52 83.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.616 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -48.41 -41.15 28.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.296 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 513' ' ' ALA . 54.0 m-20 -66.63 -52.62 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.389 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.19 -31.33 0.37 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.9 mp -87.02 -41.24 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.56 -55.34 18.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 47.95 91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.602 ' H ' HD11 ' A' ' 520' ' ' ILE . 10.1 m -59.31 162.88 4.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -45.27 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.708 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.36 -5.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 555' ' ' ALA . 7.9 pt-20 -57.32 -16.76 9.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.228 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -71.1 1.68 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.816 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -113.75 167.29 10.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.224 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.4 m -154.38 89.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -173.54 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.485 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -62.37 -26.95 68.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.4 p -48.94 -21.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -69.94 -44.5 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.33 -59.33 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.6 -45.69 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.24 -57.77 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.135 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -48.26 -45.14 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.31 -17.11 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.22 -57.53 2.35 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 572' ' ' ILE . 1.8 mp -64.02 -37.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 50.5 tp -44.15 -54.38 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 576' ' ' GLY . 7.5 m-85 -88.21 -18.96 27.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 11.4 ttt 60.38 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 164.58 68.43 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -74.31 -94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -165.01 -126.0 0.8 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -45.86 -21.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.02 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 92.3 t -58.24 -53.54 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.34 -42.15 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.07 -45.95 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.549 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 49.0 t -56.99 -61.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.8 mp -46.13 -48.77 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' A' ' 586' ' ' GLU . 1.6 tm-20 -46.61 -39.04 10.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.373 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 11.1 m -68.32 -44.26 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.3 mt -66.09 -30.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.8 p -79.42 -14.7 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -79.18 -57.69 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.2 pt -73.59 -170.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.665 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -69.76 130.16 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 8.4 p80 -137.16 76.41 44.77 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -74.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.746 2.298 . . . . 0.0 111.914 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 10.5 ptp -91.52 -18.63 23.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.502 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 85.2 m -54.91 -24.67 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.1 m -45.4 -26.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.89 73.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 599' ' ' ILE . 4.6 mp -73.24 -29.81 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.73 -36.57 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.59 -64.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.68 -52.77 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.86 -56.76 7.32 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m -60.81 -22.57 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.0 t -99.64 80.93 2.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.6 mm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.2 tp -68.47 -67.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.62 -36.39 8.07 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.456 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 4.6 tp -86.65 -14.95 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -78.78 -7.55 88.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.22 -23.78 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.811 0.338 . . . . 0.0 110.387 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.622 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -79.94 -57.85 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -57.7 6.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.622 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.99 -15.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.658 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.665 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -52.22 -1.98 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 498' ' ' ALA . 0.9 OUTLIER -37.32 -16.72 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.477 0.179 . . . . 0.0 111.391 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -75.91 26.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 504' ' ' GLU . 52.5 m-20 -143.28 121.02 11.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.082 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -51.11 -5.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 502' ' ' ASN . 28.4 tt0 -81.7 -44.98 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 110.574 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.24 -62.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 510' ' ' LEU . 2.0 pp -65.15 -22.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.6 96.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.82 -40.14 15.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.3 -24.52 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 506' ' ' LEU . 1.7 mp -68.65 -66.33 1.06 Allowed Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.642 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -45.5 -30.06 5.54 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.139 1.892 . . . . 0.0 111.259 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.53 -40.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -84.76 -11.01 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.772 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -82.11 13.18 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 54.4 p 40.96 63.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.656 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.9 p -77.34 -31.02 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -170.61 44.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.65 151.56 28.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.33 145.6 2.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.447 2.098 . . . . 0.0 111.736 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 523' ' ' ALA . 19.7 mt -73.5 -30.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.48 ' O ' ' SD ' ' A' ' 525' ' ' MET . 41.7 mt-10 -41.31 -32.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 67.5 p -85.29 -34.7 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -67.63 -40.1 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.23 83.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.3 mpt? -71.11 -46.08 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.64 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.644 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.6 m -76.39 -44.62 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.64 -51.2 69.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.75 80.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.7 OUTLIER -63.06 -22.39 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -83.5 -39.04 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -79.64 -16.15 56.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.997 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.461 HG21 ' CE1' ' A' ' 497' ' ' PHE . 0.6 OUTLIER -88.55 -34.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.445 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.55 -0.26 46.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -49.97 -18.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.499 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.81 -62.73 2.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.8 p -96.14 177.02 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 40.8 t -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 8.1 t-20 -172.16 124.96 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.73 -34.07 35.93 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 30.1 t0 -43.76 -37.93 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.617 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.97 -40.71 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.5 m -67.5 -32.17 72.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.6 m -62.24 -38.89 90.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.44 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.369 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -41.38 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 14.8 ttm -70.4 -35.12 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.82 -58.46 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.285 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -56.56 -41.0 76.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.316 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -56.25 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 12.7 mt -48.03 -30.16 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 553' ' ' ARG . 41.7 mt-10 -83.25 -56.23 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.676 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 552' ' ' GLU . 54.1 ttp180 30.28 75.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.26 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 556' ' ' ILE . 7.8 p -69.41 158.33 35.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -42.27 -18.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.107 0.48 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.57 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -52.35 -10.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.957 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 559' ' ' LYS . 1.0 OUTLIER -73.0 -16.63 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.7 pt? -43.05 -16.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 557' ' ' GLU . 8.3 ttpp -75.06 137.29 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 562' ' ' TRP . 52.8 p -82.72 174.98 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 8.8 t70 61.95 2.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.832 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 560' ' ' THR . 74.2 t90 -81.17 -49.87 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.81 -28.44 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -62.95 -55.88 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -60.57 -45.39 94.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.84 -32.83 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.29 -53.45 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.0 mp -54.56 -44.58 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.56 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.99 -14.21 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.9 -48.49 5.45 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.45 -26.81 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.486 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 tp -67.88 -48.16 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -92.96 23.54 4.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.277 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 5.2 ttt -50.16 125.05 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.475 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 53.11 82.41 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.18 -168.24 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 580' ' ' GLN . . . -146.49 -133.99 2.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -47.37 -18.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 578' ' ' GLY . 3.8 tp-100 -57.2 -34.66 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.79 -47.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -50.15 -39.96 45.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.23 -50.1 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.32 -41.14 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.687 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.58 -54.9 36.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -44.37 -55.26 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 45.9 m -52.68 -50.41 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.16 -29.13 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.6 m -82.31 -21.45 36.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.9 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.421 HD12 ' CE1' ' A' ' 593' ' ' HIS . 21.8 pt -64.49 143.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.28 88.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 591' ' ' ILE . 13.5 m80 -137.22 82.83 28.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -72.48 -19.95 24.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.593 2.196 . . . . 0.0 111.848 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.99 -59.5 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 598' ' ' ALA . 51.1 m -47.47 -23.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 14.3 m -43.95 -21.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.616 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -64.96 -38.98 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 57.5 mt -80.12 -26.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -53.56 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.88 -30.81 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.14 -70.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.67 -14.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.58 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.37 -76.41 0.97 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 46.5 m -49.41 -32.02 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.66 48.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.8 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 491' ' ' LEU . 10.9 mp -62.18 -67.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.432 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.12 -71.58 0.36 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 1.2 mp -44.63 -41.76 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.75 -65.77 2.66 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.1 pt -65.34 -10.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 111.392 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -69.5 -48.3 61.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 505' ' ' VAL . 0.7 OUTLIER -49.98 -40.76 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.159 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.05 -4.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.223 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.97 -53.74 7.27 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.046 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 90.5 p -136.03 -67.03 0.53 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.915 0.857 . . . . 0.0 112.387 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.67 -29.23 4.74 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.435 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 0.1 OUTLIER 72.95 3.66 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.559 -179.634 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.23 -32.51 49.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -65.7 -47.12 76.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.295 0.569 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 497' ' ' PHE . 2.6 t -56.06 -48.55 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.888 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 530' ' ' LEU . 7.2 tp -54.88 -26.69 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.262 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.35 -44.1 75.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 508' ' ' LEU . 7.9 mp -87.1 -49.53 7.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.899 0.38 . . . . 0.0 111.313 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.49 -27.03 23.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.233 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 8.1 mt -64.66 -66.83 1.25 Allowed Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.37 -31.53 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.171 1.914 . . . . 0.0 111.377 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 58.4 mt -85.83 -30.16 6.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.517 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.97 -10.79 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.0 12.92 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 73.9 m 41.25 73.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.0 p -86.71 -33.81 19.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -158.59 18.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.819 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.84 154.16 80.03 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.176 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.82 149.16 1.22 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.566 2.177 . . . . 0.0 111.897 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 pt -73.53 -18.62 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.89 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 12.3 p -51.04 -43.66 60.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.96 66.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.43 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 59.3 mtt -52.13 -39.13 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.477 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.38 -53.19 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 m -53.52 -38.2 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.34 -46.19 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.1 73.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 533' ' ' VAL . 77.2 mt -57.84 -54.44 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.82 -35.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.61 59.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.486 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 530' ' ' LEU . 94.7 t -84.96 -34.91 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' A' ' 506' ' ' LEU . 28.7 m-85 -90.31 0.08 57.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 535' ' ' VAL . 14.5 p -49.97 -12.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.289 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -111.36 -47.01 0.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 7.9 p -85.2 177.28 7.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.458 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 82.9 m -123.29 167.99 13.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 3.2 m-20 168.81 120.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.194 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -77.26 -31.0 53.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -49.07 -31.83 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.319 . . . . 0.0 110.578 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.19 -44.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.5 m -71.48 -35.32 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.7 m -50.73 -59.04 4.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.42 ' HB3' HD22 ' A' ' 510' ' ' LEU . 60.1 p -62.44 -54.66 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.45 -41.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.052 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.5 tpt -58.66 -55.19 38.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -36.4 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.404 ' C ' HD22 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -62.24 -53.08 60.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.58 -47.39 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -71.15 -38.93 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.4 tp10 -72.91 -10.28 59.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -44.61 92.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.8 m -76.95 163.36 26.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.553 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.78 -8.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.18 -3.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -56.84 -23.37 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.262 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.0 OUTLIER -62.06 1.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.641 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 557' ' ' GLU . 36.8 mmtt -73.89 -94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.428 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 60.5 p -116.3 -172.76 2.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -105.86 31.39 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -20.36 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.4 p -44.53 -37.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 563' ' ' VAL . 32.1 mtp85 -58.3 -55.35 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.9 -34.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.43 -38.9 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -74.23 -37.43 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -31.79 73.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.27 -18.35 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.05 -58.66 2.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.5 tt -65.03 -25.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.793 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 tp -46.33 -52.46 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 576' ' ' GLY . 14.1 m-85 -87.08 13.31 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.78 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.434 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -156.64 81.49 0.16 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -146.55 122.95 11.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 582' ' ' ASP . . . -80.25 -36.1 25.05 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.34 -52.01 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.58 -48.18 67.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.12 -22.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 578' ' ' GLY . 31.1 t0 -72.48 -45.01 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.81 -43.29 79.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.93 -50.57 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 66.1 mt -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.482 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -44.74 -43.72 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.3 m -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.354 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.18 -37.61 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 23.2 t -51.56 -38.22 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.589 ' HB3' HD12 ' A' ' 591' ' ' ILE . . . -73.35 -41.24 63.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 590' ' ' ALA . 4.4 mp -125.86 112.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 600' ' ' GLU . 12.7 pt-20 -155.76 140.92 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 157.4 58.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.87 -38.34 9.81 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.645 2.23 . . . . 0.0 111.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 595' ' ' MET . 1.2 mpt? -81.97 -40.89 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.2 m -44.53 -30.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.8 t -49.12 -40.93 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.79 77.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 43.6 mt -68.9 -44.14 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.432 ' OE1' ' OE2' ' A' ' 592' ' ' GLU . 51.2 mt-10 -53.15 -40.03 63.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.0 -25.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.2 -69.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.35 -28.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.62 -60.58 8.25 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.4 p -51.26 -35.83 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.1 t -79.27 62.85 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.704 0.288 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -76.73 -71.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.283 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.82 -48.01 24.42 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 496' ' ' ALA . 1.9 tp -74.61 -21.44 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.095 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.71 -48.31 61.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.6 tt -83.86 -30.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 493' ' ' LEU . . . -67.68 -22.93 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.3 OUTLIER -43.4 -32.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.565 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -55.46 -7.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.637 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.19 -3.47 82.27 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 502' ' ' ASN . 4.9 m -44.18 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.712 0.291 . . . . 0.0 110.79 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 499' ' ' GLY . 17.1 mmtp -77.1 32.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.318 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 500' ' ' SER . 0.1 OUTLIER -147.85 155.0 41.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.232 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 -74.31 -4.94 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -78.85 -57.67 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.029 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.4 -62.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.939 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.28 -29.1 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.08 89.91 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 508' ' ' LEU . 10.3 mp -85.81 -27.44 25.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.68 0.276 . . . . 0.0 111.168 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -44.64 95.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.01 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mm? -50.33 -66.26 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.892 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.83 -57.36 2.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.191 1.927 . . . . 0.0 111.779 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -28.53 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.708 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -81.02 -17.27 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.16 12.38 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.8 m 44.12 56.46 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 21.6 p -51.96 -45.99 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.525 ' H ' HD23 ' A' ' 518' ' ' LEU . 0.1 OUTLIER -173.27 26.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -113.42 152.38 45.22 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.333 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.72 147.26 3.17 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.499 2.132 . . . . 0.0 111.85 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.613 HD11 ' H ' ' A' ' 554' ' ' THR . 73.2 mt -63.4 -41.78 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -45.6 -52.12 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 6.7 m -61.58 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.26 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -80.66 -36.72 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.8 tpt -72.67 -47.88 43.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.68 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 31.3 p -56.71 -45.67 81.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -52.41 -48.26 65.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.95 92.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -57.67 -48.45 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.49 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 535' ' ' VAL . 54.0 t60 -69.64 -43.55 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.03 -39.23 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.468 ' C ' ' N ' ' A' ' 536' ' ' GLY . 2.4 m-85 -85.64 0.67 51.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.552 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.7 p -49.84 -12.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.315 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -98.27 -45.53 2.35 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.2 t -97.84 177.2 5.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 537' ' ' THR . 12.3 t -141.93 135.64 29.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -143.91 143.18 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.35 78.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.5 -57.57 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 534' ' ' PHE . 96.4 mt -48.4 -40.58 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.1 m -59.27 -46.82 87.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 7.2 m -56.09 -29.43 60.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 510' ' ' LEU . 0.0 OUTLIER -83.96 -55.57 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 tp -55.67 -32.49 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.606 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -72.43 -49.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.277 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -47.12 -41.59 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.87 -38.25 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.04 -62.87 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 553' ' ' ARG . 5.5 mm-40 -53.73 -56.27 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.734 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.489 HH22 ' CD1' ' A' ' 599' ' ' ILE . 6.8 mtt180 33.59 88.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.613 ' H ' HD11 ' A' ' 520' ' ' ILE . 3.6 m -65.16 161.75 18.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.502 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 557' ' ' GLU . . . -48.69 -10.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.567 ' CG2' HD12 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -53.41 -11.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.381 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 559' ' ' LYS . 11.2 pt-20 -58.03 -16.85 14.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.2 pp -39.56 -28.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 557' ' ' GLU . 26.4 ttmt -88.67 133.8 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.8 t -116.77 34.49 5.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.32 -38.59 3.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.434 ' CZ3' HD22 ' A' ' 566' ' ' LEU . 6.7 p-90 -70.72 -24.94 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.62 -31.06 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.13 -44.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.424 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.62 -49.49 53.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' A' ' 562' ' ' TRP . 10.8 tp -59.29 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -51.35 -33.67 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.93 -49.58 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.18 52.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 570' ' ' LEU . 18.2 tp -70.66 -19.91 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.91 -58.67 2.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 573' ' ' LEU . 18.4 tt -58.45 -47.66 87.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 572' ' ' ILE . 25.9 tp -48.28 -60.6 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 3.7 m-85 -83.3 9.49 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.245 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 28.0 mtt 54.75 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 149.92 38.01 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.23 120.93 3.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 135.41 139.64 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.84 -16.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.95 -37.26 68.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.443 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.34 -37.11 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.62 -42.88 84.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -62.87 -50.9 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.1 -45.37 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.94 -24.8 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.312 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.65 -41.88 62.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 62.2 m -64.86 -50.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.425 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.8 mt -54.24 -49.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 28.6 t -49.55 -49.38 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.21 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.87 83.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.459 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 592' ' ' GLU . 1.1 pp20? -130.1 143.77 50.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 595' ' ' MET . 5.6 m-70 -110.17 156.8 39.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.168 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.79 -18.87 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.612 2.208 . . . . 0.0 111.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 595' ' ' MET . 0.0 OUTLIER -92.85 -50.81 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 13.5 m -58.18 -28.9 65.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.3 m -48.19 -28.79 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.89 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.489 ' CD1' HH22 ' A' ' 553' ' ' ARG . 87.8 mt -68.3 -36.71 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 604' ' ' GLY . 50.7 tt0 -59.02 -45.99 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.5 -59.33 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -51.78 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.24 -30.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -86.83 19.19 30.88 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m -135.03 -57.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.0 49.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.51 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 494' ' ' GLY . 23.7 mm . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.713 0.292 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tt -65.0 -76.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.127 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.12 -50.17 22.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.8 tp -71.06 -12.03 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.049 0.452 . . . . 0.0 110.021 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -65.02 -48.43 71.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 19.6 tt -87.88 -12.84 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.79 -23.98 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 499' ' ' GLY . 16.6 m-85 -55.26 -5.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.49 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.12 -19.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.609 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -66.16 -2.53 14.11 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 502' ' ' ASN . 0.4 OUTLIER -38.87 -18.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.629 0.252 . . . . 0.0 111.18 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 499' ' ' GLY . 1.3 mptm? -76.56 25.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.0 0.429 . . . . 0.0 109.933 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 499' ' ' GLY . 28.0 p30 -139.7 155.94 47.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.26 -3.9 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.41 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -81.34 -42.02 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.797 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 15.4 t -71.48 -62.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . 0.513 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -76.35 -19.54 78.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.98 -56.85 3.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.67 -35.55 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mm? -58.2 -65.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.047 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.513 ' CD ' ' O ' ' A' ' 507' ' ' GLY . 2.8 Cg_endo -46.93 -59.84 1.1 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.347 2.031 . . . . 0.0 112.26 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 10.9 pt -58.93 -27.7 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.883 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.06 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.83 34.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 517' ' ' ASP . 12.3 t -137.48 77.81 1.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 518' ' ' LEU . 44.8 p -53.1 -10.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 515' ' ' SER . 22.2 m-20 -40.96 -21.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -124.53 155.21 69.46 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.199 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.57 143.51 3.92 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.565 2.177 . . . . 0.0 111.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.5 pt -73.42 -15.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.446 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -53.03 -40.75 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.6 m -82.68 -46.92 12.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.03 79.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.33 9.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.1 tpt -52.54 -48.84 65.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.236 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.93 71.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.4 p -54.12 -46.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.395 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -45.01 -54.5 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.257 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -52.93 -48.68 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -46.32 -48.49 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.27 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -46.02 -28.79 1.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 529' ' ' ALA . 93.8 t -81.87 -69.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.626 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 2.1 m-85 -61.94 0.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.671 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.464 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.0 p -49.74 -27.13 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.429 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.09 -42.96 8.4 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 61.7 p -93.86 177.4 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.48 125.96 17.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -147.38 149.98 33.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.53 -33.96 37.13 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.67 -44.09 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.761 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.57 -56.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.659 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 29.6 m -53.25 -32.61 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 19.8 m -60.34 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -52.85 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 547' ' ' MET . 0.6 OUTLIER -52.8 -51.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.445 ' N ' HG22 ' A' ' 546' ' ' ILE . 3.5 tpt -63.36 -42.4 98.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.59 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.043 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.06 -36.65 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -48.81 -40.34 28.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.637 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.02 -59.1 2.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.488 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' ARG . 61.2 tt0 -45.26 -55.77 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 552' ' ' GLU . 51.7 ttp180 36.1 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 556' ' ' ILE . 26.3 p -67.97 145.82 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.459 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -41.95 -21.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 0.0 109.789 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.2 OUTLIER -55.59 -3.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.902 179.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 555' ' ' ALA . 1.3 pt-20 -69.56 -16.92 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.317 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.2 pt? -48.55 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.985 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 557' ' ' GLU . 8.1 tttp -93.71 120.16 33.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 561' ' ' ASP . 5.7 t -82.45 -169.36 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 560' ' ' THR . 6.1 t0 84.62 -64.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 559' ' ' LYS . 2.8 p-90 -49.45 -33.01 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.792 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.17 -22.21 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -69.88 -55.79 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.71 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.6 -30.3 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.02 -55.28 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.716 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.33 -38.06 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.88 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 2.4 tp -62.05 -20.89 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -83.98 -52.57 3.6 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 4.9 mm -71.4 -21.95 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.475 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.0 tp -50.45 -59.04 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.443 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 13.0 m-85 -73.22 -3.62 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 52.82 80.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 77.86 -141.62 25.57 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.777 ' NE2' ' H ' ' A' ' 577' ' ' GLN . 0.0 OUTLIER -73.68 -173.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.563 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 149.65 121.31 1.08 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -41.41 -25.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 578' ' ' GLY . 82.6 mm-40 -55.91 -54.95 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.61 -56.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.69 -39.72 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.63 -44.75 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.83 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.42 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.1 mt -49.76 -41.5 44.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.12 -27.73 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.7 m -77.2 -52.12 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.21 -33.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 40.2 t -74.26 -34.69 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.66 -61.84 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 26.3 pt -72.13 174.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 5.3 mp0 -63.62 131.21 47.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.51 ' ND1' ' OG ' ' A' ' 597' ' ' SER . 3.0 p80 -137.2 75.6 46.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -66.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.774 2.316 . . . . 0.0 111.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 27.7 mtt -94.46 -9.65 34.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.9 m -77.75 -34.29 52.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.51 ' OG ' ' ND1' ' A' ' 593' ' ' HIS . 70.0 m -43.91 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -63.59 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.29 -30.27 45.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -58.62 -61.63 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.44 -23.96 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.9 -55.01 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.33 -49.22 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -47.16 -35.85 9.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.6 t -77.5 -34.04 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 606' ' ' CYS . 43.7 t -79.04 13.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.467 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 6.9 p -146.78 112.01 5.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.552 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.519 ' NZ ' ' OG ' ' A' ' 486' ' ' SER . 7.3 mtmp? -59.55 143.0 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.483 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 12.5 pt -47.77 -33.96 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.627 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.519 ' OG ' ' NZ ' ' A' ' 484' ' ' LYS . 13.6 p -73.12 -40.92 64.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 88.2 p -59.84 -45.86 91.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.36 77.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -51.61 -46.29 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.434 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.91 -37.58 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.467 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -49.52 -70.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.49 -40.51 31.63 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.6 -31.17 71.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 109.969 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -63.52 -31.33 80.39 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.45 -38.84 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.856 0.36 . . . . 0.0 110.422 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.572 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -76.22 -23.41 54.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 500' ' ' SER . 0.7 OUTLIER -53.87 -1.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.71 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.572 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -56.23 -35.64 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.555 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -83.27 -3.53 90.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.705 ' HB2' HG11 ' A' ' 533' ' ' VAL . 68.5 m -45.1 -12.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 499' ' ' GLY . 56.9 mttp -74.89 33.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.923 0.392 . . . . 0.0 110.399 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 504' ' ' GLU . 1.4 m-80 -120.0 128.62 53.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.151 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -46.41 -12.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 502' ' ' ASN . 31.4 tt0 -76.87 -55.44 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.235 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.63 -37.57 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 510' ' ' LEU . 6.8 tp -63.92 -30.06 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.66 -27.66 56.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.91 -44.54 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 513' ' ' ALA . 3.6 mm? -61.78 -49.74 75.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 4.5 mp -45.34 -66.05 0.55 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.98 -41.32 26.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.136 1.89 . . . . 0.0 111.699 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.35 -21.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -85.35 -18.7 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.11 56.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.613 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 26.8 t 44.16 81.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 26.7 p -73.97 -12.45 60.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.08 -57.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.2 OUTLIER -45.66 149.89 1.02 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.73 139.97 13.21 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.3 2.0 . . . . 0.0 111.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 520' ' ' ILE . 16.8 pt -73.33 -14.91 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.276 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.68 -55.13 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 22.5 p -61.87 -40.17 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.34 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -56.74 -43.04 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.531 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 13.1 mmt -62.78 -49.63 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.44 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 25.8 m -56.76 -32.32 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.9 tt -61.96 -59.25 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.39 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.86 72.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.0 OUTLIER -48.28 -46.9 36.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.296 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -62.14 -52.31 64.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -42.18 -26.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.654 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 500' ' ' SER . 60.0 t -88.82 -59.47 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 536' ' ' GLY . 16.9 m-85 -70.49 0.43 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 531' ' ' ALA . 8.6 p -49.96 -13.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.424 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -107.25 -35.33 2.72 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 534' ' ' PHE . 33.4 p -99.97 177.24 5.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.0 p -138.81 150.07 45.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 56.1 t-20 -160.78 138.42 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -79.0 -17.28 77.35 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -62.59 -57.79 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -44.3 -45.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.0 m -56.76 -39.56 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.326 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.3 m -51.78 -55.59 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 11.1 m -63.49 -43.61 96.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.85 -26.0 39.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.488 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 9.3 tpt -76.91 -50.69 12.72 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -51.98 -36.54 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.56 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -71.15 -36.38 72.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.511 ' O ' ' NE ' ' A' ' 553' ' ' ARG . 0.2 OUTLIER -54.54 -35.79 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 23.2 mt -88.95 -28.98 19.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -75.46 -7.37 53.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 550' ' ' PHE . 85.4 mtm180 -40.59 105.56 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.751 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 556' ' ' ILE . 21.3 p -79.7 166.31 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -40.41 -22.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.307 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -53.89 -7.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.827 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.593 ' C ' ' H ' ' A' ' 559' ' ' LYS . 2.6 pt-20 -65.37 -16.41 63.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.324 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -53.46 -0.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.994 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' A' ' 557' ' ' GLU . 40.2 mmtt -80.89 -168.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.767 0.317 . . . . 0.0 110.254 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 33.0 m -165.23 75.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -173.42 -51.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.545 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -64.55 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.545 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.2 p -65.29 -42.02 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.737 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 563' ' ' VAL . 10.0 ttp180 -60.56 -35.44 76.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.95 -39.6 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.43 -42.8 99.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.81 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.462 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.79 -41.01 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.36 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.623 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.87 -27.32 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.67 -29.73 28.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 90.0 mt -71.41 -33.22 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.86 -27.72 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.452 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 28.1 m-85 -118.8 35.05 4.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.641 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.7 ttt -50.88 -32.75 21.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -90.81 25.91 12.38 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.17 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.641 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 166.2 137.09 2.14 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.48 -25.48 6.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -56.04 -44.59 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.96 -41.7 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 582' ' ' ASP . 51.6 t0 -65.89 -32.98 74.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.428 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -72.75 -45.35 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.21 -61.08 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.4 mp -50.01 -43.66 50.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.64 -31.89 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 17.9 m -71.39 -40.22 70.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 43.2 mt -60.79 -43.06 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 33.0 t -63.94 -30.34 71.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.15 96.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 62.9 mt -98.78 123.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' A' ' 593' ' ' HIS . 3.2 tm-20 -62.61 129.4 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.563 ' O ' ' O ' ' A' ' 594' ' ' PRO . 0.1 OUTLIER -136.95 158.27 73.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.366 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.568 ' C ' ' H ' ' A' ' 596' ' ' THR . 2.5 Cg_endo -47.68 -160.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.943 2.428 . . . . 0.0 112.298 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 597' ' ' SER . 10.7 ptt? -55.83 -0.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.568 ' H ' ' C ' ' A' ' 594' ' ' PRO . 8.3 m -42.52 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.374 . . . . 0.0 110.613 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 595' ' ' MET . 20.2 m -46.89 -30.45 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.493 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.46 81.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 13.9 mt -65.21 -40.98 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.14 -40.92 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.77 -33.81 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 602' ' ' LEU . 2.1 tt -62.97 -67.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.85 -24.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -69.3 -29.87 71.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 83.6 p -77.84 -39.39 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.682 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.14 85.65 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -171.22 -148.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.404 ' C ' ' H ' ' A' ' 610' ' ' GLY . 26.5 m-85 -45.44 128.38 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 5.9 t -74.24 43.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 608' ' ' TYR . . . -163.5 -38.22 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 49.9 p 46.8 72.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.056 -1.414 . . . . 0.0 110.883 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.403 ' O ' ' OG ' ' A' ' 487' ' ' SER . 0.0 OUTLIER -170.38 120.7 0.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.457 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 73.2 tttt 57.66 105.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 485' ' ' ILE . 3.0 mp -40.49 -36.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 12.9 m -47.92 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 483' ' ' THR . 0.0 OUTLIER -48.45 -51.01 29.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -52.67 -37.56 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -61.48 -40.68 95.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 494' ' ' GLY . 13.5 mm -67.63 -43.24 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.446 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 19.0 tp -49.88 -61.99 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.22 -67.86 1.96 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.53 -22.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.972 0.415 . . . . 0.0 110.053 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.586 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -61.63 -79.22 0.14 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 23.2 pt -62.24 3.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -79.83 -63.55 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.725 ' CZ ' HG22 ' A' ' 533' ' ' VAL . 25.3 p90 -48.69 -49.24 38.63 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.871 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.71 ' N ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.83 -6.05 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.629 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -47.2 -54.8 9.47 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.538 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.9 t -136.87 -65.34 0.55 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.657 0.729 . . . . 0.0 112.54 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.7 OUTLIER -118.65 -28.01 5.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.333 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 0.4 OUTLIER 85.81 0.6 0.68 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 503' ' ' ASP . 36.3 p-10 -78.51 -20.04 51.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.99 -56.2 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 110.169 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.34 -27.71 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 510' ' ' LEU . 4.4 tt -64.86 -35.29 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.379 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.471 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -74.63 -25.63 69.5 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 mp -87.09 -44.23 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.778 0.323 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 513' ' ' ALA . 0.5 OUTLIER -62.8 -45.03 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.821 -179.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.499 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.0 mm? -48.16 -65.91 0.67 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.39 -44.9 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.229 1.953 . . . . 0.0 111.784 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.08 -18.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.01 -36.09 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.648 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.93 2.14 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 517' ' ' ASP . 32.2 m -93.8 61.37 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -12.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 515' ' ' SER . 8.6 t70 -42.6 -31.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.62 151.11 38.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.42 147.05 2.82 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.422 2.081 . . . . 0.0 111.746 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.619 HD11 ' CG2' ' A' ' 556' ' ' ILE . 34.8 pt -71.37 -24.7 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.576 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -51.26 -32.03 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -51.11 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -63.89 -26.22 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -59.22 -59.24 5.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 18.2 mmt -57.23 -56.86 16.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 29.9 t -64.34 -36.45 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.5 tt -54.17 -55.78 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 532' ' ' HIS . . . -57.19 -49.41 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -41.95 -39.5 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.361 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.28 73.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.449 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.6 OUTLIER -73.5 -15.01 61.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.293 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.725 HG22 ' CZ ' ' A' ' 497' ' ' PHE . 63.2 t -85.3 -57.3 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.42 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 1.5 m-85 -77.13 1.05 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.617 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 535' ' ' VAL . 7.8 p -49.28 -12.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.396 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -91.44 -51.88 2.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 55.9 p -99.37 177.11 5.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.531 HD22 ' H ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -165.76 117.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -73.67 -19.74 79.74 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.531 ' H ' HD22 ' A' ' 539' ' ' ASN . 41.1 t0 -55.52 -42.58 74.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.75 -51.78 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.722 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 5.3 m -54.77 -22.83 15.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 2.8 m -71.29 -51.51 24.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.433 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.405 ' HB3' HD13 ' A' ' 510' ' ' LEU . 5.8 p -65.57 -43.99 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.993 0.425 . . . . 0.0 110.185 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 547' ' ' MET . 1.7 mt -57.06 -55.01 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.147 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.43 ' N ' HG22 ' A' ' 546' ' ' ILE . 2.6 tpt -58.43 -41.87 86.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.574 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -55.88 -51.28 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.421 HD21 HG22 ' A' ' 520' ' ' ILE . 4.0 t-20 -56.89 -36.63 70.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.414 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.2 OUTLIER -60.55 -57.71 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.309 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 551' ' ' LEU . 3.0 mm? -49.3 -24.27 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 553' ' ' ARG . 6.4 tp10 -81.61 -55.57 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.811 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 552' ' ' GLU . 28.7 mtm180 43.91 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 556' ' ' ILE . 20.6 p -73.56 160.74 31.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -48.79 -14.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.633 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.619 ' CG2' HD11 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -52.93 -10.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' A' ' 559' ' ' LYS . 47.3 mm-40 -59.46 -17.03 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.399 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 558' ' ' LEU . 0.8 OUTLIER -60.69 2.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.745 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 557' ' ' GLU . 63.4 mttt -124.46 142.18 51.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.91 98.23 5.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 562' ' ' TRP . 17.6 p30 -173.98 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.477 ' N ' ' OD1' ' A' ' 561' ' ' ASP . 6.7 p-90 -67.59 -34.38 76.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.412 HG23 ' H ' ' A' ' 563' ' ' VAL . 7.2 t -46.35 -31.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -56.02 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.53 -37.53 84.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' A' ' 550' ' ' PHE . 29.5 tp -59.27 -44.5 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -62.08 -55.43 29.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 8.8 mp -49.39 -44.09 44.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.43 46.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.453 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.45 -16.54 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.77 -44.06 7.99 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.0 mt -81.99 -30.46 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.32 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.0 tp -47.13 -36.73 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 576' ' ' GLY . 9.7 m-85 -105.28 29.72 6.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 574' ' ' TYR . 9.1 ptp 32.04 34.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 86.33 -73.63 2.49 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -101.72 155.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 153.52 127.11 1.16 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 3.1 mp0 -46.79 -20.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.491 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -55.85 -45.02 78.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.38 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.65 -49.04 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 -38.87 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.64 -44.15 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.613 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.29 -61.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 69.7 mt -46.83 -45.73 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -48.62 77.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 32.2 mt -57.75 -42.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.305 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 16.7 p -68.04 -32.79 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.42 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -53.37 -58.28 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 592' ' ' GLU . 89.6 mt -84.43 153.84 3.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 591' ' ' ILE . 23.8 mt-10 -75.45 112.29 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.714 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -137.32 87.19 18.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.311 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.51 -8.77 24.37 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.377 2.051 . . . . 0.0 111.889 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 6.1 ttt -97.49 -63.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.329 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 598' ' ' ALA . 4.2 m -51.8 -24.02 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 34.5 t -44.04 -22.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -68.06 -53.85 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.87 -25.36 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.464 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.43 -52.75 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.641 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.9 -33.6 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -68.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.4 t -56.01 -21.07 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -78.22 -56.44 3.71 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 19.6 m -51.32 -35.91 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.4 m -86.43 91.8 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -162.25 -172.05 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -56.6 132.72 52.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 610' ' ' GLY . 0.2 OUTLIER -156.48 -153.44 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.399 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.56 ' H ' HG22 ' A' ' 609' ' ' THR . . . 77.79 32.7 44.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 45.7 p -84.9 25.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.773 0 CA-C-O 118.028 -1.429 . . . . 0.0 110.931 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 64.2 p -44.99 114.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -55.19 132.19 47.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.8 tt -45.76 -24.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 489' ' ' ALA . 68.4 p -43.58 -59.16 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 60.6 p -40.74 -47.31 2.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.88 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 486' ' ' SER . . . -68.67 -49.4 59.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.631 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.623 ' N ' HD12 ' A' ' 490' ' ' ILE . 1.8 mp -55.2 -57.16 8.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.466 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.87 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -40.88 -81.14 0.03 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 7.3 tp -45.36 -17.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.203 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.706 ' O ' ' CD1' ' A' ' 497' ' ' PHE . . . -60.46 -89.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 498' ' ' ALA . 14.4 tt -48.52 -8.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 494' ' ' GLY . . . -73.93 -37.65 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.453 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -50.98 -10.84 0.08 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.862 173.211 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 495' ' ' ILE . . . -84.12 -4.21 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.82 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.17 -54.98 6.81 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 119.729 -0.484 . . . . 0.0 112.759 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 72.5 m -137.15 -67.55 0.49 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.227 1.013 . . . . 0.0 112.726 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.621 ' O ' ' ND2' ' A' ' 502' ' ' ASN . 10.9 tmtt? -120.83 -28.24 4.88 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.628 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 501' ' ' LYS . 0.6 OUTLIER 94.14 2.46 0.06 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.578 0.549 . . . . 0.0 110.654 -179.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -78.36 -23.52 46.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.753 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -65.91 -49.84 66.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.989 0.423 . . . . 0.0 110.114 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.7 t -64.78 -24.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.904 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.19 -53.81 10.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.176 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -54.25 -23.81 27.05 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.12 -51.75 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.998 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 530' ' ' LEU . 6.0 mt -58.98 -46.12 88.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.49 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.2 mm? -47.48 -66.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.9 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 507' ' ' GLY . 2.9 Cg_endo -46.93 -37.86 22.68 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.065 1.843 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 74.1 mt -80.22 -23.15 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.447 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.71 -16.46 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.89 -0.72 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 517' ' ' ASP . 39.9 t -115.54 62.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.403 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 5.1 t -49.59 -10.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 515' ' ' SER . 48.3 t0 -39.1 -39.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.58 154.97 65.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.051 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.69 127.86 6.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.469 2.113 . . . . 0.0 111.804 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.466 HD11 ' H ' ' A' ' 554' ' ' THR . 46.0 mt -59.24 -28.05 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -45.97 -43.04 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.444 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 26.1 m -66.85 -37.4 84.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.311 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -70.71 -33.25 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.641 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 58.3 mtp -56.2 -38.87 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -66.27 -34.72 78.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 67.6 m -65.19 -54.42 29.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -48.63 -41.29 30.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.45 80.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.493 ' CD1' HD13 ' A' ' 509' ' ' LEU . 2.9 mt -69.23 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -50.28 -31.46 14.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.431 ' O ' HG12 ' A' ' 535' ' ' VAL . 0.4 OUTLIER -65.47 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.43 -17.96 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.847 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.527 ' CZ ' ' OD1' ' A' ' 502' ' ' ASN . 6.7 m-85 -97.27 -0.82 45.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 532' ' ' HIS . 9.9 p -50.09 -11.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -97.16 -60.81 0.95 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 0.0 OUTLIER -103.03 176.63 5.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.632 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.504 ' N ' ' OG1' ' A' ' 537' ' ' THR . 30.2 p -131.15 153.69 49.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.525 ' ND2' ' OD2' ' A' ' 541' ' ' ASP . 54.3 t-20 -148.58 134.58 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.626 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.17 -21.55 77.14 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.525 ' OD2' ' ND2' ' A' ' 539' ' ' ASN . 46.4 m-20 -53.58 -49.52 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.84 -35.99 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.106 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 7.4 m -67.49 -19.0 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.257 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 3.3 m -77.02 -49.76 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 12.4 p -69.65 -30.87 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.065 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 547' ' ' MET . 4.3 mt -73.85 -58.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.301 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 546' ' ' ILE . 0.2 OUTLIER -55.66 -29.83 59.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.43 -47.43 70.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.466 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.28 -25.91 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.551 ' CE1' HD21 ' A' ' 566' ' ' LEU . 1.4 m-85 -65.63 -55.02 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.488 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.1 -36.75 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 553' ' ' ARG . 1.9 tp10 -78.29 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 552' ' ' GLU . 18.0 ttm180 39.74 95.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 555' ' ' ALA . 11.4 m -68.4 167.17 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.523 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.534 ' N ' HG22 ' A' ' 554' ' ' THR . . . -53.32 -7.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.762 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 556' ' ' ILE . 0.9 OUTLIER -60.3 -1.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 559' ' ' LYS . 10.9 pt-20 -70.79 -16.71 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.354 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -47.06 -10.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.025 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 557' ' ' GLU . 58.9 mttm -94.27 138.66 32.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.399 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 5.8 m -104.21 -17.2 14.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.5 -9.72 46.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 44.0 t90 -81.77 -46.9 13.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 8.8 p -49.62 -31.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -59.92 -55.81 29.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.12 -56.77 17.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.449 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 550' ' ' PHE . 34.1 tp -46.79 -47.35 20.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.78 -42.44 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.19 -64.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.495 HD11 ' CE1' ' A' ' 550' ' ' PHE . 5.2 mt -43.49 -17.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -84.16 -40.15 8.77 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 569' ' ' ALA . 96.3 mt -65.53 -35.76 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.7 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 -55.32 23.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.403 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 574' ' ' TYR . 12.8 m-85 -99.43 2.89 45.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 571' ' ' GLY . 9.5 ttp 43.5 26.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 67.18 48.9 56.73 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -172.52 133.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.633 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 125.63 103.46 1.4 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.637 ' H ' ' CD ' ' A' ' 579' ' ' GLU . 20.7 mp0 -42.72 -20.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 578' ' ' GLY . 55.3 tp60 -55.46 -37.99 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 4.8 p -66.78 -42.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.535 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' A' ' 579' ' ' GLU . 0.0 OUTLIER -49.84 -38.25 34.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.991 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.11 -43.41 78.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 86.8 t -54.72 -34.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.355 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.69 -48.21 64.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.204 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -47.63 -31.75 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 33.6 m -73.85 -52.96 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.43 -23.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.7 t -77.7 -49.05 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.33 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.666 ' N ' HD12 ' A' ' 591' ' ' ILE . 1.5 mp -76.86 128.9 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.483 ' O ' ' ND1' ' A' ' 593' ' ' HIS . 3.2 pt-20 -59.15 97.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 592' ' ' GLU . 1.8 m-70 -137.14 81.85 31.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.19 -21.87 19.78 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.616 2.21 . . . . 0.0 111.585 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 28.4 mtm -75.71 -49.13 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 2.5 p -79.01 -23.6 44.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 13.3 t -43.97 -32.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.53 78.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.161 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.19 -39.91 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.366 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' A' ' 600' ' ' GLU . 4.8 tm-20 -49.96 -34.54 21.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.21 -54.94 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 9.7 mp -49.2 -43.42 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 95.6 t -77.62 -24.37 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.49 -36.9 58.74 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.0 m -81.03 -58.46 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 31.9 t -74.77 87.68 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.56 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -163.91 -113.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.36 124.06 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.354 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 72.6 p -59.43 122.46 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 611' ' ' THR . . . 165.32 15.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 610' ' ' GLY . 17.4 p 55.54 162.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 0.0 110.584 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.006 -1.441 . . . . 0.0 110.939 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.4 p -138.18 -104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 486' ' ' SER . 52.4 mttm -79.71 -119.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.463 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 5.1 mp 47.94 -87.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 484' ' ' LYS . 86.8 p -53.0 -53.37 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 9.2 p -58.53 -36.08 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.62 -49.0 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 5.2 mm -56.5 -55.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.377 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.25 -41.62 93.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.246 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 494' ' ' GLY . . . -47.98 -83.87 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 2.4 pp -44.29 -20.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.417 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.636 ' O ' ' CD2' ' A' ' 497' ' ' PHE . . . -58.47 -93.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.7 tt -45.67 -9.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.59 ' N ' ' O ' ' A' ' 494' ' ' GLY . . . -74.55 -32.92 62.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.511 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.636 ' CD2' ' O ' ' A' ' 494' ' ' GLY . 0.2 OUTLIER -51.73 -9.2 0.08 Allowed 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.785 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -83.59 -4.08 58.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -45.19 -54.54 7.1 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.715 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 78.1 p -136.7 -67.6 0.5 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.181 0.99 . . . . 0.0 112.749 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER -120.91 -28.85 4.73 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.76 -179.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 501' ' ' LYS . 3.0 p-10 92.86 7.78 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.625 0.578 . . . . 0.0 110.511 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -37.23 44.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 504' ' ' GLU . 1.3 mp0 -51.95 -59.61 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.57 -39.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.375 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.85 -28.37 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 511' ' ' PRO . . . -78.07 -27.04 58.93 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 10.6 mp -86.7 -46.36 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.071 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 513' ' ' ALA . 8.1 mp -61.38 -48.38 81.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.6 mm? -45.39 -66.41 0.5 Allowed Pre-proline 0 C--N 1.329 -0.312 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.661 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -47.09 -47.02 17.77 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.132 1.888 . . . . 0.0 111.77 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.89 -22.05 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -80.51 -31.89 37.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.95 35.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 517' ' ' ASP . 53.0 p -138.02 73.65 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 35.9 p -49.56 -10.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 515' ' ' SER . 9.3 m-20 -38.96 -54.02 1.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 518' ' ' LEU . 0.1 OUTLIER -83.56 152.73 64.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.24 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -46.14 153.85 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.444 2.096 . . . . 0.0 111.785 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 556' ' ' ILE . 24.6 pt -71.18 -14.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -62.63 -41.58 99.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.578 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 8.1 p -69.08 -55.77 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -52.63 -28.31 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.581 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -67.33 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.9 mmt -48.86 -41.18 32.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.44 92.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.343 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.9 m -60.92 -45.69 93.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.1 tt -51.99 -58.26 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.196 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -48.29 -34.48 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -58.6 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -57.15 -23.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.542 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 535' ' ' VAL . 9.6 t60 -67.5 -51.94 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.588 HG21 ' CD1' ' A' ' 497' ' ' PHE . 4.1 p -79.46 -29.34 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.04 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.467 ' CD1' ' ND2' ' A' ' 502' ' ' ASN . 0.8 OUTLIER -86.0 0.42 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.526 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.3 p -49.48 -14.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 110.265 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -97.82 -53.46 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 534' ' ' PHE . 19.2 p -87.78 177.36 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 0.0 110.333 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 41.4 t -149.48 156.82 42.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -162.48 144.67 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -65.14 -41.38 97.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -45.39 -55.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 88.6 mt -45.34 -46.89 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 94.1 m -64.34 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.1 m -63.17 -52.8 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -35.38 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.84 -50.01 63.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.56 -50.14 74.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.46 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -50.36 -35.32 27.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.5 ' CE2' HD21 ' A' ' 566' ' ' LEU . 0.1 OUTLIER -57.91 -46.35 85.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.44 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.59 -47.42 82.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 553' ' ' ARG . 29.6 tp10 -58.45 -56.06 26.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.777 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 552' ' ' GLU . 43.4 ttp180 30.48 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 556' ' ' ILE . 18.0 p -80.25 155.73 27.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -53.42 -7.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.422 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.09 -8.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 559' ' ' LYS . 9.4 mm-40 -60.07 -17.48 39.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.234 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 558' ' ' LEU . 0.9 OUTLIER -60.42 1.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.819 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 557' ' ' GLU . 23.1 ttmt -65.61 -137.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.423 ' H ' ' CG ' ' A' ' 559' ' ' LYS . 72.5 p -101.77 43.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 60.99 69.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 55.6 t90 -67.83 -22.95 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 9.7 p -48.84 -21.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.654 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -66.7 -55.95 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.707 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -56.55 -36.81 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.5 HD21 ' CE2' ' A' ' 550' ' ' PHE . 46.9 tp -66.74 -26.64 67.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.71 13.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.3 -28.94 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -73.28 -56.22 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.99 -19.62 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.38 -56.11 3.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.82 -22.02 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.669 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.1 tp -45.46 -58.51 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.432 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 576' ' ' GLY . 40.0 m-85 -78.98 -30.95 44.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 25.0 ttp 61.01 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -73.04 75.06 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -49.08 136.86 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.67 -147.85 6.35 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.7 -26.57 57.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.626 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -55.82 -50.25 71.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.42 -51.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.567 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -45.42 -36.72 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.77 -41.25 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.62 -56.19 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.5 mp -55.23 -45.38 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -51.26 -36.41 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.4 m -75.13 -47.8 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.39 -38.05 60.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 22.7 t -76.95 -20.54 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -67.51 -59.96 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 22.1 pt -76.97 167.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.59 91.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.679 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.98 78.98 58.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.188 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 597' ' ' SER . 3.3 Cg_exo -74.08 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.77 2.313 . . . . 0.0 112.067 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.418 ' C ' ' N ' ' A' ' 597' ' ' SER . 12.7 tpt -44.08 -52.86 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.617 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 598' ' ' ALA . 3.0 m -43.58 -23.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.719 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 595' ' ' MET . 42.6 p -43.68 -22.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 596' ' ' THR . . . -65.43 -40.91 93.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 92.4 mt -77.8 -28.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.422 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -58.34 -49.4 77.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.39 -31.11 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.39 -70.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.39 -42.9 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -53.41 -65.5 3.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 17.4 t -49.21 -46.12 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 94.3 m -77.38 88.33 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -130.41 -166.87 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.47 104.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.387 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 611' ' ' THR . 5.4 p -72.79 -54.03 9.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 74.81 -14.8 4.25 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 609' ' ' THR . 6.4 p -146.35 -154.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.821 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.975 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.441 ' H ' HG23 ' A' ' 483' ' ' THR . 1.3 p -71.75 151.14 43.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -66.29 102.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.422 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.46 -16.15 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.67 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 71.7 p -58.27 -40.55 82.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . 0.417 ' O ' HD13 ' A' ' 491' ' ' LEU . 60.1 p -66.25 -34.29 77.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.678 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.02 -51.56 45.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.65 73.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.538 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.54 -31.47 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.669 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 487' ' ' SER . 0.7 OUTLIER -62.81 -73.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.279 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -45.22 -40.44 7.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.496 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 6.4 mp -65.89 -45.34 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -54.15 -43.92 73.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.6 pt -83.88 -4.81 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -75.64 -44.52 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 0.3 OUTLIER -58.28 -43.9 88.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.995 0.426 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -48.3 -5.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.89 -53.63 7.26 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.838 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.1 m -136.07 -67.04 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 117.674 0.737 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 -28.96 4.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.489 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.625 HD22 ' CG1' ' A' ' 533' ' ' VAL . 0.1 OUTLIER 72.69 17.64 4.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.497 ' CG ' ' N ' ' A' ' 504' ' ' GLU . 3.4 p30 -78.29 -54.46 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.505 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 503' ' ' ASP . 44.3 tt0 -46.02 -58.8 3.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.071 0.462 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.562 HG13 HD23 ' A' ' 509' ' ' LEU . 1.0 OUTLIER -54.99 -24.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.23 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 534' ' ' PHE . 0.2 OUTLIER -61.62 -53.14 60.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.418 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.418 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -62.05 -23.88 64.36 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 13.7 mt -86.68 -37.4 18.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 111.019 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' A' ' 526' ' ' ALA . 0.3 OUTLIER -64.04 -50.19 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 3.6 mp -45.75 -65.56 0.64 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.713 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.66 -40.23 23.91 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.206 1.937 . . . . 0.0 111.59 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.69 -21.44 12.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.51 -15.56 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.784 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -81.82 0.4 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 28.2 t 41.71 58.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.4 p -65.77 -37.77 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -146.73 9.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.738 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.435 ' CB ' ' CD ' ' A' ' 519' ' ' PRO . 0.1 OUTLIER -109.8 177.56 1.21 Allowed Pre-proline 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 518' ' ' LEU . 3.0 Cg_exo -77.37 153.25 31.02 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.625 2.217 . . . . 0.0 111.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.1 pt -72.37 -27.49 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.97 -63.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 11.9 m -50.71 -38.11 45.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -69.49 -24.75 63.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.06 -52.01 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.507 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 5.0 mmt -54.2 -40.88 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 509' ' ' LEU . . . -71.21 -35.32 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.402 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 36.3 t -67.39 -44.26 79.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.5 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.4 -51.86 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.34 -31.62 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.636 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.494 HD21 ' CD2' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -63.72 -50.64 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.43 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.424 ' O ' ' CG1' ' A' ' 535' ' ' VAL . 4.4 m-70 -58.25 -37.3 74.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.818 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 502' ' ' ASN . 91.0 t -75.17 -65.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.748 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.733 ' CE1' HD23 ' A' ' 506' ' ' LEU . 3.5 m-85 -61.68 0.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.3 p -49.53 -17.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.128 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -101.43 -42.84 2.27 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 534' ' ' PHE . 17.4 p -90.35 177.22 6.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 94.5 m -130.75 155.61 46.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.478 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 0.2 OUTLIER -176.75 118.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.137 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.74 -31.84 62.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -46.17 -42.92 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.54 -28.66 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.8 m -79.12 -30.49 43.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 42.3 p -60.45 -53.29 59.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 5.7 t -61.84 -50.4 72.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.056 0.455 . . . . 0.0 109.862 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.4 mt -55.41 -34.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.09 -31.56 67.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.286 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.56 -36.62 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.328 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.5 -47.09 43.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.266 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' A' ' 566' ' ' LEU . 5.7 m-85 -47.45 -31.42 4.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.93 -36.88 30.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 553' ' ' ARG . 21.2 tt0 -63.1 -55.93 21.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 552' ' ' GLU . 13.4 mmm180 27.95 81.31 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.455 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.606 ' C ' ' H ' ' A' ' 556' ' ' ILE . 1.0 OUTLIER -91.28 148.03 22.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.26 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -55.62 -1.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.481 . . . . 0.0 110.177 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.606 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -69.3 -21.0 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.401 ' CB ' ' HE1' ' A' ' 562' ' ' TRP . 0.1 OUTLIER -72.16 -23.39 61.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.034 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 558' ' ' LEU . 4.3 mm? -47.53 -37.76 12.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.377 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -55.08 -63.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.508 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 75.4 p -93.0 -160.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -140.69 39.9 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.416 ' CE3' HD13 ' A' ' 566' ' ' LEU . 1.2 p-90 -53.86 -25.51 20.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.2 p -47.21 -39.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.704 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 563' ' ' VAL . 14.7 mmt180 -62.22 -56.01 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -59.78 -21.45 60.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.682 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.416 HD13 ' CE3' ' A' ' 562' ' ' TRP . 0.9 OUTLIER -77.62 -22.93 50.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -82.75 -41.53 19.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.75 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 568' ' ' LEU . 3.9 mm? -71.19 -27.84 63.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.662 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -75.98 -44.45 39.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 11.7 tp -77.51 -20.81 53.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.385 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -80.72 -45.85 7.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 tt -72.4 -23.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.6 -38.85 47.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.552 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -102.8 30.7 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 575' ' ' MET . 2.0 tmt? -83.05 124.42 30.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 111.61 -40.45 2.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.31 167.3 12.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.401 ' O ' ' OD2' ' A' ' 582' ' ' ASP . . . -144.43 -57.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.93 -39.07 76.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.279 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.73 -39.67 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.6 -55.24 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.456 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 578' ' ' GLY . 28.7 m-20 -45.09 -37.57 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -65.68 -44.37 86.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.456 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.2 -57.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.75 -38.57 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.291 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -56.96 -32.0 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.396 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 97.9 m -81.21 -55.0 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 80.8 mt -52.07 -31.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 11.6 t -72.99 -46.1 54.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -57.53 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 592' ' ' GLU . 14.2 mm -70.05 165.83 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.485 ' N ' HG22 ' A' ' 591' ' ' ILE . 26.7 mt-10 -41.33 130.28 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 6.1 p80 -137.37 75.74 44.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.769 2.313 . . . . 0.0 111.94 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -96.48 -32.86 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 71.1 p -50.02 -24.36 2.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 11.5 t -48.94 -45.53 41.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -45.07 -33.61 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 59.7 t -79.5 -44.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.435 ' C ' HD13 ' A' ' 602' ' ' LEU . 0.3 OUTLIER -50.51 -63.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.02 -48.43 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.36 -42.92 13.86 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 607' ' ' ALA . 20.4 t -72.18 -33.11 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.683 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.73 15.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 605' ' ' SER . . . -79.14 178.3 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.53 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 609' ' ' THR . 31.2 p90 -81.96 -48.59 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.571 ' N ' ' CG ' ' A' ' 608' ' ' TYR . 4.5 t -55.21 138.2 45.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.654 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -85.58 -133.12 2.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 18.6 m -86.96 -48.51 8.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.542 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 117.946 -1.474 . . . . 0.0 110.908 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 17.0 m 56.44 97.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.58 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -55.24 160.17 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 1.3 pt -62.72 -9.06 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.344 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 7.7 t -54.07 -34.51 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 11.8 t -50.58 -67.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.507 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.21 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.08 74.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 494' ' ' GLY . 5.1 mm -64.75 -36.81 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.98 -60.45 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.256 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -49.78 -48.7 36.37 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 11.0 mp -72.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -70.13 -39.22 72.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 59.6 mt -88.92 -38.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 110.758 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -67.27 -32.12 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 493' ' ' LEU . 1.3 m-85 -50.1 -7.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -48.99 -36.88 18.66 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.8 -8.06 73.68 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.652 ' HB3' HG11 ' A' ' 533' ' ' VAL . 24.8 t -46.22 -13.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.0 OUTLIER -75.21 33.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.071 0.463 . . . . 0.0 110.186 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 500' ' ' SER . 4.4 m120 -109.31 164.01 12.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.171 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 503' ' ' ASP . 0.6 OUTLIER -78.19 -12.77 60.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.613 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.94 -58.22 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.504 HG11 ' OG ' ' A' ' 500' ' ' SER . 13.1 t -58.41 -35.81 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.261 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.539 HD13 ' CZ ' ' A' ' 534' ' ' PHE . 22.1 tp -66.53 -52.37 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.453 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -67.36 -20.51 71.56 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 6.3 tp -87.38 -58.06 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.006 0.432 . . . . 0.0 111.232 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 530' ' ' LEU . 1.5 tp -58.26 -28.13 64.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mp -59.56 -65.77 1.86 Allowed Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.946 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -48.26 -29.47 13.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.922 1.748 . . . . 0.0 111.154 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 57.6 mt -86.74 -26.54 6.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.475 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 509' ' ' LEU . . . -86.38 -10.55 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.854 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' A' ' 549' ' ' ASN . . . -81.53 3.81 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 14.3 t 38.96 78.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 37.4 p -80.61 -38.45 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.609 ' H ' HD23 ' A' ' 518' ' ' LEU . 16.1 m-20 -161.67 37.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.609 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -138.24 150.27 66.25 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.178 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.28 143.31 8.02 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.502 2.135 . . . . 0.0 111.929 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.602 HD11 ' H ' ' A' ' 554' ' ' THR . 90.4 mt -73.49 -23.96 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.306 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.5 -44.92 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 60.9 p -72.82 -55.61 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.2 -21.23 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -68.88 -63.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 46.9 mtt -54.97 -37.18 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.77 94.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 41.5 m -52.76 -57.87 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 7.0 tp -51.18 -46.14 62.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -53.65 -35.48 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.631 HD23 HD23 ' A' ' 509' ' ' LEU . 0.2 OUTLIER -65.75 -30.05 70.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.287 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -77.08 -43.52 34.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.755 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 532' ' ' HIS . 17.4 t-80 -56.8 -33.5 66.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.648 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.652 HG11 ' HB3' ' A' ' 500' ' ' SER . 41.3 t -80.67 -49.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.245 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 506' ' ' LEU . 18.0 m-85 -77.94 0.47 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.688 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 531' ' ' ALA . 11.8 p -49.98 -10.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 534' ' ' PHE . . . -94.37 -41.74 4.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 534' ' ' PHE . 13.0 t -133.21 154.37 50.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 67.2 m -103.63 164.14 11.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.943 0.401 . . . . 0.0 110.657 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.489 ' OD1' ' HB2' ' A' ' 541' ' ' ASP . 10.3 t-20 -155.27 140.27 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.362 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -70.75 -40.48 65.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 544' ' ' THR . 7.3 m-20 -45.99 -57.98 3.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.341 . . . . 0.0 110.754 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.7 mt -42.64 -27.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 3.9 m -81.24 -35.04 31.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 541' ' ' ASP . 0.6 OUTLIER -55.19 -34.81 64.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 2.7 m -83.39 -59.9 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.71 -45.02 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.322 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.27 -44.52 83.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.616 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -48.41 -41.15 28.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.296 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 513' ' ' ALA . 54.0 m-20 -66.63 -52.62 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.389 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.19 -31.33 0.37 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.9 mp -87.02 -41.24 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.56 -55.34 18.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 47.95 91.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.602 ' H ' HD11 ' A' ' 520' ' ' ILE . 10.1 m -59.31 162.88 4.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.442 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -45.27 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.708 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.36 -5.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 555' ' ' ALA . 7.9 pt-20 -57.32 -16.76 9.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.228 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.1 pt? -71.1 1.68 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.816 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -113.75 167.29 10.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.224 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.4 m -154.38 89.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.667 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -173.54 -43.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.485 ' CD2' ' N ' ' A' ' 563' ' ' VAL . 0.1 OUTLIER -62.37 -26.95 68.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 562' ' ' TRP . 7.4 p -48.94 -21.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -69.94 -44.5 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.33 -59.33 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 7.5 tp -47.6 -45.69 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.615 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.24 -57.77 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.135 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -48.26 -45.14 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.31 -17.11 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.22 -57.53 2.35 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 572' ' ' ILE . 1.8 mp -64.02 -37.54 80.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 50.5 tp -44.15 -54.38 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 576' ' ' GLY . 7.5 m-85 -88.21 -18.96 27.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 11.4 ttt 60.38 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 164.58 68.43 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -74.31 -94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -165.01 -126.0 0.8 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -45.86 -21.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.02 -49.83 72.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 92.3 t -58.24 -53.54 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.34 -42.15 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.07 -45.95 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.549 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 49.0 t -56.99 -61.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 585' ' ' LEU . 10.8 mp -46.13 -48.77 17.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' A' ' 586' ' ' GLU . 1.6 tm-20 -46.61 -39.04 10.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.373 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 11.1 m -68.32 -44.26 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 93.3 mt -66.09 -30.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 55.8 p -79.42 -14.7 58.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -79.18 -57.69 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 23.2 pt -73.59 -170.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.665 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -69.76 130.16 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 8.4 p80 -137.16 76.41 44.77 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -74.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.746 2.298 . . . . 0.0 111.914 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 10.5 ptp -91.52 -18.63 23.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.502 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 85.2 m -54.91 -24.67 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 8.1 m -45.4 -26.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.89 73.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 599' ' ' ILE . 4.6 mp -73.24 -29.81 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.73 -36.57 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.59 -64.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.68 -52.77 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -46.86 -56.76 7.32 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m -60.81 -22.57 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 29.0 t -99.64 80.93 2.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -163.21 -111.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 101.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 7.7 m -153.38 130.13 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -158.48 -173.1 26.45 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.65 -44.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.556 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.8 0 CA-C-O 117.976 -1.458 . . . . 0.0 110.92 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.11 111.17 4.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -134.85 53.07 2.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.3 mm -62.66 -25.42 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.3 p -57.07 -33.56 67.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.629 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 54.0 m -61.1 -50.24 74.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.516 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.54 71.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.04 -47.61 43.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.6 mm -61.46 -33.82 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.438 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 494' ' ' GLY . 4.2 tp -68.47 -67.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -46.62 -36.39 8.07 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.456 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 4.6 tp -86.65 -14.95 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -78.78 -7.55 88.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.8 tt -119.22 -23.78 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.811 0.338 . . . . 0.0 110.387 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.622 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -79.94 -57.85 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.996 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -57.7 6.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.622 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -41.99 -15.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.658 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.665 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -52.22 -1.98 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 498' ' ' ALA . 0.9 OUTLIER -37.32 -16.72 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.477 0.179 . . . . 0.0 111.391 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.665 ' N ' ' O ' ' A' ' 499' ' ' GLY . 0.1 OUTLIER -75.91 26.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 504' ' ' GLU . 52.5 m-20 -143.28 121.02 11.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.082 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -51.11 -5.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 502' ' ' ASN . 28.4 tt0 -81.7 -44.98 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 110.574 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.24 -62.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.508 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 510' ' ' LEU . 2.0 pp -65.15 -22.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.6 96.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.82 -40.14 15.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.3 -24.52 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.009 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 506' ' ' LEU . 1.7 mp -68.65 -66.33 1.06 Allowed Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.642 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -45.5 -30.06 5.54 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.139 1.892 . . . . 0.0 111.259 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 66.0 mt -83.53 -40.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -84.76 -11.01 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.772 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 510' ' ' LEU . . . -82.11 13.18 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 54.4 p 40.96 63.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.656 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 16.9 p -77.34 -31.02 54.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -170.61 44.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.65 151.56 28.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.33 145.6 2.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.447 2.098 . . . . 0.0 111.736 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 523' ' ' ALA . 19.7 mt -73.5 -30.39 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.48 ' O ' ' SD ' ' A' ' 525' ' ' MET . 41.7 mt-10 -41.31 -32.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.743 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 67.5 p -85.29 -34.7 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -67.63 -40.1 84.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.9 -47.23 83.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' A' ' 525' ' ' MET . 1.3 mpt? -71.11 -46.08 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.69 -27.64 69.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.644 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 66.6 m -76.39 -44.62 35.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.64 -51.2 69.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.75 80.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.7 OUTLIER -63.06 -22.39 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.478 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -83.5 -39.04 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -79.64 -16.15 56.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.997 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.461 HG21 ' CE1' ' A' ' 497' ' ' PHE . 0.6 OUTLIER -88.55 -34.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.445 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.55 -0.26 46.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.476 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -49.97 -18.64 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.499 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -74.81 -62.73 2.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.8 p -96.14 177.02 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 40.8 t -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 8.1 t-20 -172.16 124.96 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.515 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.73 -34.07 35.93 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 539' ' ' ASN . 30.1 t0 -43.76 -37.93 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.617 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.97 -40.71 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 17.5 m -67.5 -32.17 72.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.6 m -62.24 -38.89 90.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.44 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.369 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -41.38 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 14.8 ttm -70.4 -35.12 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.82 -58.46 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.285 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -56.56 -41.0 76.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.316 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -56.25 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 12.7 mt -48.03 -30.16 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 553' ' ' ARG . 41.7 mt-10 -83.25 -56.23 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.676 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 552' ' ' GLU . 54.1 ttp180 30.28 75.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.26 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 556' ' ' ILE . 7.8 p -69.41 158.33 35.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -42.27 -18.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.107 0.48 . . . . 0.0 110.1 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.57 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -52.35 -10.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.957 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 559' ' ' LYS . 1.0 OUTLIER -73.0 -16.63 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.7 pt? -43.05 -16.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 557' ' ' GLU . 8.3 ttpp -75.06 137.29 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 562' ' ' TRP . 52.8 p -82.72 174.98 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 8.8 t70 61.95 2.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.832 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 560' ' ' THR . 74.2 t90 -81.17 -49.87 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.81 -28.44 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.729 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -62.95 -55.88 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -60.57 -45.39 94.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.84 -32.83 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -66.29 -53.45 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.0 mp -54.56 -44.58 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.56 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.99 -14.21 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -82.9 -48.49 5.45 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.45 -26.81 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.486 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 43.6 tp -67.88 -48.16 66.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -92.96 23.54 4.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.277 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 5.2 ttt -50.16 125.05 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.475 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 53.11 82.41 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -125.18 -168.24 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 580' ' ' GLN . . . -146.49 -133.99 2.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -47.37 -18.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 578' ' ' GLY . 3.8 tp-100 -57.2 -34.66 68.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.79 -47.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -50.15 -39.96 45.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.531 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.23 -50.1 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.32 -41.14 77.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.687 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.58 -54.9 36.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -44.37 -55.26 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 45.9 m -52.68 -50.41 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.16 -29.13 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.62 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.6 m -82.31 -21.45 36.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.58 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -70.87 -53.9 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.421 HD12 ' CE1' ' A' ' 593' ' ' HIS . 21.8 pt -64.49 143.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.28 88.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 591' ' ' ILE . 13.5 m80 -137.22 82.83 28.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.515 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -72.48 -19.95 24.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.593 2.196 . . . . 0.0 111.848 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.99 -59.5 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 598' ' ' ALA . 51.1 m -47.47 -23.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.4 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 14.3 m -43.95 -21.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.616 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -64.96 -38.98 92.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 57.5 mt -80.12 -26.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -53.56 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 11.6 p -63.88 -30.81 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.14 -70.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.502 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.67 -14.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.58 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -79.37 -76.41 0.97 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 46.5 m -49.41 -32.02 10.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.436 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 49.1 t -89.66 48.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.75 -94.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.598 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.77 154.53 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.463 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 11.2 p -119.63 -10.96 9.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 84.28 -170.62 47.1 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 10.0 t -79.85 -172.22 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.64 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.785 0 CA-C-O 117.922 -1.488 . . . . 0.0 110.943 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 483' ' ' THR . 8.1 t -82.52 129.69 34.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -160.79 8.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.457 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.2 -22.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 46.4 t -49.49 -47.68 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 6.5 t -61.57 -64.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.52 -21.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -71.96 -50.64 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.633 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 13.8 mm -57.64 -41.68 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 491' ' ' LEU . 10.9 mp -62.18 -67.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.432 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.12 -71.58 0.36 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.545 ' O ' ' CE1' ' A' ' 497' ' ' PHE . 1.2 mp -44.63 -41.76 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.494 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.75 -65.77 2.66 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.1 pt -65.34 -10.97 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 111.392 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 493' ' ' LEU . . . -69.5 -48.3 61.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.681 ' CD1' HG21 ' A' ' 505' ' ' VAL . 0.7 OUTLIER -49.98 -40.76 45.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.895 0.379 . . . . 0.0 110.159 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -49.05 -4.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.223 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -44.97 -53.74 7.27 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.046 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 90.5 p -136.03 -67.03 0.53 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.915 0.857 . . . . 0.0 112.387 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.67 -29.23 4.74 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.435 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 502' ' ' ASN . 0.1 OUTLIER 72.95 3.66 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.559 -179.634 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.23 -32.51 49.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -65.7 -47.12 76.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.295 0.569 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 497' ' ' PHE . 2.6 t -56.06 -48.55 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.888 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 530' ' ' LEU . 7.2 tp -54.88 -26.69 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.262 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -68.35 -44.1 75.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 508' ' ' LEU . 7.9 mp -87.1 -49.53 7.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.899 0.38 . . . . 0.0 111.313 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.49 -27.03 23.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.233 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 8.1 mt -64.66 -66.83 1.25 Allowed Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.37 -31.53 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.171 1.914 . . . . 0.0 111.377 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 58.4 mt -85.83 -30.16 6.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.517 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -83.97 -10.79 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.0 12.92 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 73.9 m 41.25 73.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.0 p -86.71 -33.81 19.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -158.59 18.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.819 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.84 154.16 80.03 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.176 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.82 149.16 1.22 Allowed 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.566 2.177 . . . . 0.0 111.897 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 pt -73.53 -18.62 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -59.89 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.518 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 12.3 p -51.04 -43.66 60.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.96 66.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.43 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 59.3 mtt -52.13 -39.13 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.477 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -68.38 -53.19 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 22.3 m -53.52 -38.2 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.34 -46.19 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.42 -46.1 73.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 533' ' ' VAL . 77.2 mt -57.84 -54.44 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -43.82 -35.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.71 -26.61 59.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.486 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 530' ' ' LEU . 94.7 t -84.96 -34.91 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' A' ' 506' ' ' LEU . 28.7 m-85 -90.31 0.08 57.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.743 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 535' ' ' VAL . 14.5 p -49.97 -12.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.289 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -111.36 -47.01 0.77 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 7.9 p -85.2 177.28 7.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.458 ' O ' ' OD1' ' A' ' 539' ' ' ASN . 82.9 m -123.29 167.99 13.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 538' ' ' CYS . 3.2 m-20 168.81 120.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.194 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -77.26 -31.0 53.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 541' ' ' ASP . 1.0 OUTLIER -49.07 -31.83 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.319 . . . . 0.0 110.578 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.19 -44.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 43.5 m -71.48 -35.32 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.7 m -50.73 -59.04 4.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.42 ' HB3' HD22 ' A' ' 510' ' ' LEU . 60.1 p -62.44 -54.66 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.488 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -46.45 -41.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.052 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.5 tpt -58.66 -55.19 38.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -36.4 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.404 ' C ' HD22 ' A' ' 549' ' ' ASN . 0.2 OUTLIER -62.24 -53.08 60.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.58 -47.39 19.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.1 mp -71.15 -38.93 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.4 tp10 -72.91 -10.28 59.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -44.61 92.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 556' ' ' ILE . 4.8 m -76.95 163.36 26.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.553 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -49.78 -8.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -53.18 -3.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 555' ' ' ALA . 0.4 OUTLIER -56.84 -23.37 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.262 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.0 OUTLIER -62.06 1.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.641 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 557' ' ' GLU . 36.8 mmtt -73.89 -94.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.428 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 60.5 p -116.3 -172.76 2.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -105.86 31.39 5.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -20.36 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 564' ' ' ARG . 8.4 p -44.53 -37.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 563' ' ' VAL . 32.1 mtp85 -58.3 -55.35 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.9 -34.43 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.43 -38.9 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.444 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -74.23 -37.43 63.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -31.79 73.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.27 -18.35 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -84.05 -58.66 2.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.5 tt -65.03 -25.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.704 0.288 . . . . 0.0 110.793 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.1 tp -46.33 -52.46 12.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.51 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 576' ' ' GLY . 14.1 m-85 -87.08 13.31 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.78 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.434 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . -156.64 81.49 0.16 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -146.55 122.95 11.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 582' ' ' ASP . . . -80.25 -36.1 25.05 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -50.34 -52.01 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.58 -48.18 67.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.12 -22.32 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 578' ' ' GLY . 31.1 t0 -72.48 -45.01 61.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.81 -43.29 79.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.93 -50.57 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 66.1 mt -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.482 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -44.74 -43.72 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.419 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.3 m -59.5 -44.48 93.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.354 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.18 -37.61 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 23.2 t -51.56 -38.22 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.589 ' HB3' HD12 ' A' ' 591' ' ' ILE . . . -73.35 -41.24 63.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 590' ' ' ALA . 4.4 mp -125.86 112.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.366 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 600' ' ' GLU . 12.7 pt-20 -155.76 140.92 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.631 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.38 157.4 58.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.87 -38.34 9.81 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.645 2.23 . . . . 0.0 111.909 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 595' ' ' MET . 1.2 mpt? -81.97 -40.89 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 70.2 m -44.53 -30.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 12.8 t -49.12 -40.93 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.75 -35.79 77.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 43.6 mt -68.9 -44.14 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.432 ' OE1' ' OE2' ' A' ' 592' ' ' GLU . 51.2 mt-10 -53.15 -40.03 63.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.0 -25.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.2 -69.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.35 -28.86 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -60.62 -60.58 8.25 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 60.4 p -51.26 -35.83 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 48.1 t -79.27 62.85 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -160.35 165.94 30.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 47.54 43.64 16.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.115 0.483 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 4.5 m -117.21 -11.52 10.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.3 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -78.45 74.06 2.14 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 19.5 m -151.3 85.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.761 0 CA-C-O 117.963 -1.465 . . . . 0.0 110.946 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.1 t -128.86 -38.97 1.63 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 486' ' ' SER . 0.0 OUTLIER 41.67 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.615 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 23.3 pt -56.78 -4.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.535 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 484' ' ' LYS . 38.6 m -58.45 -37.93 76.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.659 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -35.16 79.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.75 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.523 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.2 50.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 22.8 mm -66.69 -21.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -76.73 -71.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.283 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.82 -48.01 24.42 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 496' ' ' ALA . 1.9 tp -74.61 -21.44 59.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.095 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.71 -48.31 61.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 7.6 tt -83.86 -30.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 493' ' ' LEU . . . -67.68 -22.93 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.607 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 499' ' ' GLY . 0.3 OUTLIER -43.4 -32.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.565 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -55.46 -7.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.637 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -87.19 -3.47 82.27 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 502' ' ' ASN . 4.9 m -44.18 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.712 0.291 . . . . 0.0 110.79 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 499' ' ' GLY . 17.1 mmtp -77.1 32.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.318 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 500' ' ' SER . 0.1 OUTLIER -147.85 155.0 41.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.232 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 -74.31 -4.94 39.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.732 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -78.85 -57.67 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.029 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.4 -62.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.939 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.28 -29.1 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.08 89.91 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 508' ' ' LEU . 10.3 mp -85.81 -27.44 25.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.68 0.276 . . . . 0.0 111.168 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -44.64 95.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.01 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 2.1 mm? -50.33 -66.26 0.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.892 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.5 Cg_endo -46.83 -57.36 2.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.191 1.927 . . . . 0.0 111.779 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -28.53 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.708 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -81.02 -17.27 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.604 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.16 12.38 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 4.8 m 44.12 56.46 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 21.6 p -51.96 -45.99 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.525 ' H ' HD23 ' A' ' 518' ' ' LEU . 0.1 OUTLIER -173.27 26.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 517' ' ' ASP . 0.2 OUTLIER -113.42 152.38 45.22 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.333 179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.72 147.26 3.17 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.499 2.132 . . . . 0.0 111.85 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.613 HD11 ' H ' ' A' ' 554' ' ' THR . 73.2 mt -63.4 -41.78 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -45.6 -52.12 11.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 6.7 m -61.58 -43.02 99.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.26 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 520' ' ' ILE . . . -80.66 -36.72 32.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 10.8 tpt -72.67 -47.88 43.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.68 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 31.3 p -56.71 -45.67 81.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.1 tt -52.41 -48.26 65.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.95 92.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -57.67 -48.45 79.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.49 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.425 ' O ' HG12 ' A' ' 535' ' ' VAL . 54.0 t60 -69.64 -43.55 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.661 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.03 -39.23 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.468 ' C ' ' N ' ' A' ' 536' ' ' GLY . 2.4 m-85 -85.64 0.67 51.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.552 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 532' ' ' HIS . 7.7 p -49.84 -12.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.315 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.468 ' N ' ' C ' ' A' ' 534' ' ' PHE . . . -98.27 -45.53 2.35 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.2 t -97.84 177.2 5.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 537' ' ' THR . 12.3 t -141.93 135.64 29.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -143.91 143.18 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.35 78.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.5 -57.57 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 534' ' ' PHE . 96.4 mt -48.4 -40.58 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 11.1 m -59.27 -46.82 87.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 7.2 m -56.09 -29.43 60.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 510' ' ' LEU . 0.0 OUTLIER -83.96 -55.57 4.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.422 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.7 tp -55.67 -32.49 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.606 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.6 tpt -72.43 -49.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.277 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -47.12 -41.59 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.87 -38.25 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.04 -62.87 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 553' ' ' ARG . 5.5 mm-40 -53.73 -56.27 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.734 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.489 HH22 ' CD1' ' A' ' 599' ' ' ILE . 6.8 mtt180 33.59 88.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.731 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.613 ' H ' HD11 ' A' ' 520' ' ' ILE . 3.6 m -65.16 161.75 18.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.502 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 557' ' ' GLU . . . -48.69 -10.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.567 ' CG2' HD12 ' A' ' 520' ' ' ILE . 0.9 OUTLIER -53.41 -11.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.381 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 559' ' ' LYS . 11.2 pt-20 -58.03 -16.85 14.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.2 pp -39.56 -28.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.776 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 557' ' ' GLU . 26.4 ttmt -88.67 133.8 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.8 t -116.77 34.49 5.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.726 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.32 -38.59 3.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.358 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.434 ' CZ3' HD22 ' A' ' 566' ' ' LEU . 6.7 p-90 -70.72 -24.94 62.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.62 -31.06 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -64.13 -44.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.424 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.62 -49.49 53.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' A' ' 562' ' ' TRP . 10.8 tp -59.29 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -51.35 -33.67 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.93 -49.58 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.18 52.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 570' ' ' LEU . 18.2 tp -70.66 -19.91 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -81.91 -58.67 2.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 573' ' ' LEU . 18.4 tt -58.45 -47.66 87.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . 0.597 ' N ' HG23 ' A' ' 572' ' ' ILE . 25.9 tp -48.28 -60.6 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 576' ' ' GLY . 3.7 m-85 -83.3 9.49 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.245 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 28.0 mtt 54.75 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 574' ' ' TYR . . . 149.92 38.01 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.23 120.93 3.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.478 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 135.41 139.64 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.84 -16.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -55.95 -37.26 68.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.443 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.34 -37.11 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.62 -42.88 84.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -62.87 -50.9 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.1 -45.37 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.94 -24.8 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.312 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.65 -41.88 62.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 62.2 m -64.86 -50.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.425 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 94.8 mt -54.24 -49.17 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 28.6 t -49.55 -49.38 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.21 52.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.87 83.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.459 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 592' ' ' GLU . 1.1 pp20? -130.1 143.77 50.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 595' ' ' MET . 5.6 m-70 -110.17 156.8 39.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.168 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -43.79 -18.87 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.612 2.208 . . . . 0.0 111.834 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.47 ' SD ' ' O ' ' A' ' 595' ' ' MET . 0.0 OUTLIER -92.85 -50.81 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 13.5 m -58.18 -28.9 65.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 3.3 m -48.19 -28.79 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.89 94.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.489 ' CD1' HH22 ' A' ' 553' ' ' ARG . 87.8 mt -68.3 -36.71 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 604' ' ' GLY . 50.7 tt0 -59.02 -45.99 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.5 -59.33 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -51.78 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.24 -30.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 600' ' ' GLU . . . -86.83 19.19 30.88 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m -135.03 -57.57 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.0 49.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -157.48 -129.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -60.58 86.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 610' ' ' GLY . 0.1 OUTLIER -91.33 -105.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.458 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.515 ' N ' ' OG1' ' A' ' 609' ' ' THR . . . -92.28 -140.36 9.48 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 17.1 p -150.63 103.53 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.961 -1.466 . . . . 0.0 110.88 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 13.6 p -145.05 26.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -145.09 -81.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.1 mt -48.01 -26.75 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.67 -52.21 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 25.1 m -45.73 -42.93 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.3 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.59 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 494' ' ' GLY . 23.7 mm -70.38 -26.55 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.496 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 494' ' ' GLY . 6.9 tt -65.0 -76.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.127 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -48.12 -50.17 22.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 6.8 tp -71.06 -12.03 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.049 0.452 . . . . 0.0 110.021 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 490' ' ' ILE . . . -65.02 -48.43 71.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 19.6 tt -87.88 -12.84 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.709 0.29 . . . . 0.0 110.753 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.79 -23.98 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 499' ' ' GLY . 16.6 m-85 -55.26 -5.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.49 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.12 -19.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.609 ' O ' ' N ' ' A' ' 501' ' ' LYS . . . -66.16 -2.53 14.11 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 502' ' ' ASN . 0.4 OUTLIER -38.87 -18.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.629 0.252 . . . . 0.0 111.18 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 499' ' ' GLY . 1.3 mptm? -76.56 25.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.0 0.429 . . . . 0.0 109.933 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 499' ' ' GLY . 28.0 p30 -139.7 155.94 47.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.33 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.26 -3.9 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.41 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -81.34 -42.02 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.797 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 15.4 t -71.48 -62.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.722 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . 0.513 ' O ' ' CD ' ' A' ' 511' ' ' PRO . . . -76.35 -19.54 78.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.98 -56.85 3.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.67 -35.55 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.488 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 1.5 mm? -58.2 -65.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.047 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.513 ' CD ' ' O ' ' A' ' 507' ' ' GLY . 2.8 Cg_endo -46.93 -59.84 1.1 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.347 2.031 . . . . 0.0 112.26 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 10.9 pt -58.93 -27.7 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.883 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -78.62 -45.06 22.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -82.83 34.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 517' ' ' ASP . 12.3 t -137.48 77.81 1.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 518' ' ' LEU . 44.8 p -53.1 -10.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 515' ' ' SER . 22.2 m-20 -40.96 -21.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.73 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 516' ' ' THR . 0.1 OUTLIER -124.53 155.21 69.46 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.199 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.57 143.51 3.92 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.565 2.177 . . . . 0.0 111.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 26.5 pt -73.42 -15.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.446 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -53.03 -40.75 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 34.6 m -82.68 -46.92 12.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.03 79.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.33 9.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 1.1 tpt -52.54 -48.84 65.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.236 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -57.43 -50.93 71.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 83.4 p -54.12 -46.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.395 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -45.01 -54.5 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.257 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 533' ' ' VAL . . . -52.93 -48.68 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.2 tt -46.32 -48.49 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -56.27 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -46.02 -28.79 1.25 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 529' ' ' ALA . 93.8 t -81.87 -69.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.626 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.522 ' CD2' ' OG1' ' A' ' 537' ' ' THR . 2.1 m-85 -61.94 0.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.671 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.464 ' H ' ' C ' ' A' ' 533' ' ' VAL . 14.0 p -49.74 -27.13 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.429 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -82.09 -42.96 8.4 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.522 ' OG1' ' CD2' ' A' ' 534' ' ' PHE . 61.7 p -93.86 177.4 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 26.2 p -141.48 125.96 17.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -147.38 149.98 33.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.53 -33.96 37.13 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.67 -44.09 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.761 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.57 -56.31 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.659 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 29.6 m -53.25 -32.61 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 19.8 m -60.34 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -52.85 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 547' ' ' MET . 0.6 OUTLIER -52.8 -51.29 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.445 ' N ' HG22 ' A' ' 546' ' ' ILE . 3.5 tpt -63.36 -42.4 98.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.59 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.043 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.06 -36.65 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -48.81 -40.34 28.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.637 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.02 -59.1 2.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.488 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 553' ' ' ARG . 61.2 tt0 -45.26 -55.77 5.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 552' ' ' GLU . 51.7 ttp180 36.1 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.12 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 556' ' ' ILE . 26.3 p -67.97 145.82 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.459 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . -41.95 -21.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 0.0 109.789 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 554' ' ' THR . 0.2 OUTLIER -55.59 -3.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.902 179.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 555' ' ' ALA . 1.3 pt-20 -69.56 -16.92 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.317 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 558' ' ' LEU . 1.2 pt? -48.55 -8.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.985 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 557' ' ' GLU . 8.1 tttp -93.71 120.16 33.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 561' ' ' ASP . 5.7 t -82.45 -169.36 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 560' ' ' THR . 6.1 t0 84.62 -64.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.494 ' CD1' ' O ' ' A' ' 559' ' ' LYS . 2.8 p-90 -49.45 -33.01 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.792 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.17 -22.21 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -69.88 -55.79 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.71 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.726 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.6 -30.3 71.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.02 -55.28 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.716 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.33 -38.06 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.92 -50.88 64.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 574' ' ' TYR . 2.4 tp -62.05 -20.89 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -83.98 -52.57 3.6 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 4.9 mm -71.4 -21.95 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.475 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 17.0 tp -50.45 -59.04 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.358 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.443 ' CE2' ' O ' ' A' ' 570' ' ' LEU . 13.0 m-85 -73.22 -3.62 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 575' ' ' MET . 0.0 OUTLIER 52.82 80.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 77.86 -141.62 25.57 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.777 ' NE2' ' H ' ' A' ' 577' ' ' GLN . 0.0 OUTLIER -73.68 -173.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.563 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 149.65 121.31 1.08 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -41.41 -25.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.55 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 578' ' ' GLY . 82.6 mm-40 -55.91 -54.95 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.61 -56.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.69 -39.72 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.336 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.63 -44.75 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.503 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.83 -61.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.42 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.1 mt -49.76 -41.5 44.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.12 -27.73 22.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.7 m -77.2 -52.12 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.21 -33.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 40.2 t -74.26 -34.69 63.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.582 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.66 -61.84 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 26.3 pt -72.13 174.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 592' ' ' GLU . 5.3 mp0 -63.62 131.21 47.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.51 ' ND1' ' OG ' ' A' ' 597' ' ' SER . 3.0 p80 -137.2 75.6 46.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.664 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.19 -66.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.774 2.316 . . . . 0.0 111.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 27.7 mtt -94.46 -9.65 34.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.9 m -77.75 -34.29 52.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.51 ' OG ' ' ND1' ' A' ' 593' ' ' HIS . 70.0 m -43.91 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -63.59 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.29 -30.27 45.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.838 0.351 . . . . 0.0 110.628 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -58.62 -61.63 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 91.4 t -57.44 -23.96 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.9 -55.01 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.33 -49.22 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -47.16 -35.85 9.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.6 t -77.5 -34.04 54.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 606' ' ' CYS . 43.7 t -79.04 13.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.467 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -156.0 -153.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -43.83 123.94 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 24.3 m -139.22 152.45 47.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 93.39 -114.87 4.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 77.7 p -137.32 105.81 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.531 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.807 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.915 -179.995 . . . . . . . . 0 0 . 1 stop_ save_